N0Z
2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
Created: | 2019-11-05 |
Last modified: | 2020-06-03 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 15 |
Chemical Component Summary | |
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Name | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol |
Systematic Name (OpenEye OEToolkits) | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol |
Formula | C10 H9 N5 O |
Molecular Weight | 215.211 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N |
Canonical SMILES | CACTVS | 3.385 | Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N |
InChI | InChI | 1.03 | InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15) |
InChIKey | InChI | 1.03 | QPHUIBRHCXZODB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 21589971 |