ethyl 8-cyclohexyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 8-cyclohexyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-cyclohexyl-2-[4-(4-methyl-1-piperazinyl)anilino]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-cyclohexyl-5-keto-2-[4-(4-methylpiperazino)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NC3=CC=C(C=C3)N4CCN(CC4)C)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NC3=CC=C(C=C3)N4CCN(CC4)C)C5CCCCC5

InChI

InChI=1S/C27H34N6O3/c1-3-36-26(35)23-18-33(21-7-5-4-6-8-21)25-22(24(23)34)17-28-27(30-25)29-19-9-11-20(12-10-19)32-15-13-31(2)14-16-32/h9-12,17-18,21H,3-8,13-16H2,1-2H3,(H,28,29,30)