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Summary Geometry Related PDB entries

D41

Summary

Name:	7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
Formula:	C16 H18 N6 O
Formal charge:	0
Formula weight:	310.354 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
OpenEye OEToolkits	1.7.6	7-azanyl-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)c1cc2c(nc(nc2nc1N)C(C)(C)C)c3cccn3
InChI	InChI	1.03	InChI=1S/C16H18N6O/c1-16(2,3)15-20-11(10-5-4-6-19-10)8-7-9(13(18)23)12(17)21-14(8)22-15/h4-7,19H,1-3H3,(H2,18,23)(H2,17,20,21,22)
InChIKey	InChI	1.03	QZUNGZQACLCXSW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(C)c1nc2nc(N)c(cc2c(n1)c3[nH]ccc3)C(N)=O
SMILES	CACTVS	3.385	CC(C)(C)c1nc2nc(N)c(cc2c(n1)c3[nH]ccc3)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3
SMILES	OpenEye OEToolkits	1.7.6	CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3

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