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

Systemtic Name: ethyl 6-(3-methylphenyl)-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-6-(3-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-methylphenyl)-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H34N4O4S/c1-5-12-32-22(18-30-13-14-31(20(4)17-30)26(33)23-11-8-15-37-23)24(27(34)36-6-2)25(29-28(32)35)21-10-7-9-19(3)16-21/h5,7-11,15-16,20,25H,1,6,12-14,17-18H2,2-4H3,(H,29,35)