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Summary Geometry Related PDB entries

990

Summary

Name:	(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one
Formula:	C20 H18 F N5 O2
Formal charge:	0
Formula weight:	379.388 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one
OpenEye OEToolkits	1.9.2	(7R)-2-azanyl-7-[4-fluoranyl-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc2ccc(c(c1nc(OC)ccc1)c2)C4NC(=O)c3c(nc(nc3C4)N)C
InChI	InChI	1.03	InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1
InChIKey	InChI	1.03	WSMQUUGTQYPVPD-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccc(n1)c2cc(F)ccc2[C@H]3Cc4nc(N)nc(C)c4C(=O)N3
SMILES	CACTVS	3.385	COc1cccc(n1)c2cc(F)ccc2[CH]3Cc4nc(N)nc(C)c4C(=O)N3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F
SMILES	OpenEye OEToolkits	1.9.2	Cc1c2c(nc(n1)N)CC(NC2=O)c3ccc(cc3c4cccc(n4)OC)F

225158

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