6ZN

6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one

Created:	2016-08-01
Last modified:	2016-08-10

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1 entries where 6ZN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	18

2D diagram of 6ZN

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Chemical Component Summary
Name	6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one
Systematic Name (OpenEye OEToolkits)	6-[3-[2-(2,3-dihydro-1~{H}-inden-2-ylamino)-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl]propanoyl]-3~{H}-1,3-benzoxazol-2-one
Formula	C₂₆ H₂₅ N₅ O₃
Molecular Weight	455.508
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c6c(ccc1C(CCN3Cc2cnc(nc2CC3)NC5Cc4ccccc4C5)=O)NC(=O)O6
SMILES	CACTVS	3.385	O=C1Nc2ccc(cc2O1)C(=O)CCN3CCc4nc(NC5Cc6ccccc6C5)ncc4C3
SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6
Canonical SMILES	CACTVS	3.385	O=C1Nc2ccc(cc2O1)C(=O)CCN3CCc4nc(NC5Cc6ccccc6C5)ncc4C3
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6
InChI	InChI	1.03	InChI=1S/C26H25N5O3/c32-23(18-5-6-22-24(13-18)34-26(33)30-22)8-10-31-9-7-21-19(15-31)14-27-25(29-21)28-20-11-16-3-1-2-4-17(16)12-20/h1-6,13-14,20H,7-12,15H2,(H,30,33)(H,27,28,29)
InChIKey	InChI	1.03	XQEZVPRVJMIIGM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	121488121

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