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

Systemtic Name: ethyl 3-methyl-4-[[4-(4-methylphenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-[(4-p-toluoylpiperazino)methyl]-6-(3-thienyl)-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=CSC=C2)C)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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