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

Systemtic Name: ethyl 2-oxidanylidene-4-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-benzoylpiperazin-1-yl)methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-benzoyl-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-benzoylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-benzoylpiperazino)methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4S/c1-3-11-30-21(17-28-12-14-29(15-13-28)24(31)19-8-6-5-7-9-19)22(25(32)34-4-2)23(27-26(30)33)20-10-16-35-18-20/h3,5-10,16,18,23H,1,4,11-15,17H2,2H3,(H,27,33)