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Summary

Name:	N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Formula:	C21 H22 N6 O3
Formal charge:	0
Formula weight:	406.438 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
OpenEye OEToolkits	1.5.0	N'-(3-methyl-1H-indazol-6-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1cc(cc(OC)c1OC)Nc2nccc(n2)Nc3ccc4c(c3)nnc4C)C
SMILES_CANONICAL	CACTVS	3.341	COc1cc(Nc2nccc(Nc3ccc4c([nH]nc4C)c3)n2)cc(OC)c1OC
SMILES	CACTVS	3.341	COc1cc(Nc2nccc(Nc3ccc4c([nH]nc4C)c3)n2)cc(OC)c1OC
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC
SMILES	OpenEye OEToolkits	1.5.0	Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC
InChI	InChI	1.03	InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)
InChIKey	InChI	1.03	SQQAPOSROFWHIB-UHFFFAOYSA-N

224931

数据于2024-09-11公开中

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