ethyl 3-methyl-6-(4-methylphenyl)-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-6-(4-methylphenyl)-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-2-oxo-6-(p-tolyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-6-(4-methylphenyl)-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-6-(4-methylphenyl)-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-6-(p-tolyl)-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)C)CN3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)C)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H30N4O4S/c1-4-33-24(31)21-19(27(3)25(32)26-22(21)18-9-7-17(2)8-10-18)16-28-11-13-29(14-12-28)23(30)20-6-5-15-34-20/h5-10,15,22H,4,11-14,16H2,1-3H3,(H,26,32)