XRH
2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide
Created: | 2023-12-08 |
Last modified: | 2024-02-28 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 76 |
Chiral Atom Count | 0 |
Bond Count | 81 |
Aromatic Bond Count | 24 |
Chemical Component Summary | |
---|---|
Name | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide |
Systematic Name (OpenEye OEToolkits) | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide |
Formula | C34 H29 Cl2 N7 O4 |
Molecular Weight | 670.545 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN(C)C1=NC(=O)N(c2cccc(NC(=O)COc3cccc(c3)N4C(=O)N=C(N(C)C)c5ccc(Cl)cc45)c2)c6cc(Cl)ccc16 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccc(c3)NC(=O)COc4cccc(c4)N5c6cc(ccc6C(=NC5=O)N(C)C)Cl |
Canonical SMILES | CACTVS | 3.385 | CN(C)C1=NC(=O)N(c2cccc(NC(=O)COc3cccc(c3)N4C(=O)N=C(N(C)C)c5ccc(Cl)cc45)c2)c6cc(Cl)ccc16 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccc(c3)NC(=O)COc4cccc(c4)N5c6cc(ccc6C(=NC5=O)N(C)C)Cl |
InChI | InChI | 1.06 | InChI=1S/C34H29Cl2N7O4/c1-40(2)31-26-13-11-20(35)15-28(26)42(33(45)38-31)23-8-5-7-22(17-23)37-30(44)19-47-25-10-6-9-24(18-25)43-29-16-21(36)12-14-27(29)32(41(3)4)39-34(43)46/h5-18H,19H2,1-4H3,(H,37,44) |
InChIKey | InChI | 1.06 | GOGVJELCHJYKRJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 168876207 |