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

Systemtic Name: ethyl 4-[(8-cycloheptyl-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-[(8-cycloheptyl-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]pyrrole-2-carboxylate CAS Name: 4-[(8-cycloheptyl-4-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[(8-cycloheptyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-[(8-cycloheptyl-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]pyrrole-2-carboxylic acid ethyl ester Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1CC2=CC=CC=C2)NC3=NC(=C4C=CC(=O)N(C4=N3)C5CCCCCC5)C

Isomeric SMILES

CCOC(=O)C1=CC(=CN1CC2=CC=CC=C2)NC3=NC(=C4C=CC(=O)N(C4=N3)C5CCCCCC5)C

InChI

InChI=1S/C29H33N5O3/c1-3-37-28(36)25-17-22(19-33(25)18-21-11-7-6-8-12-21)31-29-30-20(2)24-15-16-26(35)34(27(24)32-29)23-13-9-4-5-10-14-23/h6-8,11-12,15-17,19,23H,3-5,9-10,13-14,18H2,1-2H3,(H,30,31,32)