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Summary Geometry Related PDB entries

LII

Summary

Name:	(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
Synonyms:	SRI-9662
Formula:	C18 H19 N5 O2
Formal charge:	0
Formula weight:	337.376 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
OpenEye OEToolkits	1.5.0	6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc(c(c2c1nc(nc2N)N)C)/C=C\c3cc(OC)ccc3OC
SMILES_CANONICAL	CACTVS	3.341	COc1ccc(OC)c(\C=C/c2cnc3nc(N)nc(N)c3c2C)c1
SMILES	CACTVS	3.341	COc1ccc(OC)c(C=Cc2cnc3nc(N)nc(N)c3c2C)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(cnc2c1c(nc(n2)N)N)C=Cc3cc(ccc3OC)OC
InChI	InChI	1.03	InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4-
InChIKey	InChI	1.03	WNDJHUNKXPAREB-PLNGDYQASA-N

218853

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