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

Systemtic Name: ethyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-2-oxo-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-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-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-6-(3-thienyl)-4-[(4-tosylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32N4O5S2 MolecularWeight: 544.68608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O5S2/c1-4-11-30-22(23(25(31)35-5-2)24(27-26(30)32)20-10-16-36-18-20)17-28-12-14-29(15-13-28)37(33,34)21-8-6-19(3)7-9-21/h4,6-10,16,18,24H,1,5,11-15,17H2,2-3H3,(H,27,32)