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

Systemtic Name: ethyl 4-[[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-2-oxo-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(4-m-anisoyl-3-methyl-piperazino)methyl]-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H34N4O5S MolecularWeight: 538.65836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O5S/c1-5-11-32-23(24(27(34)37-6-2)25(29-28(32)35)21-10-14-38-18-21)17-30-12-13-31(19(3)16-30)26(33)20-8-7-9-22(15-20)36-4/h5,7-10,14-15,18-19,25H,1,6,11-13,16-17H2,2-4H3,(H,29,35)