ethyl 6-(3-chlorophenyl)-4-[(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)methyl]-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-chlorophenyl)-4-[(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)methyl]-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-4-[[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-3-methyl-piperazino]methyl]-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H31ClN4O4 MolecularWeight: 474.98034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)C)CN3CCN(C(C3)C)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)C)CN3CCN(C(C3)C)C(=O)C4CC4

InChI

InChI=1S/C24H31ClN4O4/c1-4-33-23(31)20-19(14-28-10-11-29(15(2)13-28)22(30)16-8-9-16)27(3)24(32)26-21(20)17-6-5-7-18(25)12-17/h5-7,12,15-16,21H,4,8-11,13-14H2,1-3H3,(H,26,32)