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

Systemtic Name: ethyl 4-[[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]methyl]-3-methyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-3-methyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-3-methyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-3-methyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-[(4-m-anisoylpiperazino)methyl]-3-methyl-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S/c1-4-34-24(31)21-20(27(2)25(32)26-22(21)18-8-13-35-16-18)15-28-9-11-29(12-10-28)23(30)17-6-5-7-19(14-17)33-3/h5-8,13-14,16,22H,4,9-12,15H2,1-3H3,(H,26,32)