methyl 4-[(8-cyclohexyl-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(8-cyclohexyl-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[(8-cyclohexyl-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[(8-cyclohexyl-4-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(8-cyclohexyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[(8-cyclohexyl-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)NC3=CN(C(=C3)C(=O)OC)C)C4CCCCC4

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)NC3=CN(C(=C3)C(=O)OC)C)C4CCCCC4

InChI

InChI=1S/C21H25N5O3/c1-13-16-9-10-18(27)26(15-7-5-4-6-8-15)19(16)24-21(22-13)23-14-11-17(20(28)29-3)25(2)12-14/h9-12,15H,4-8H2,1-3H3,(H,22,23,24)