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

Systemtic Name: ethyl 4-[(3-methyl-4-thiophen-2-ylcarbonyl-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-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[oxo(thiophen-2-yl)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-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-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-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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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=CS4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S2/c1-4-9-29-19(15-27-10-11-28(17(3)14-27)23(30)20-7-6-12-35-20)21(24(31)33-5-2)22(26-25(29)32)18-8-13-34-16-18/h4,6-8,12-13,16-17,22H,1,5,9-11,14-15H2,2-3H3,(H,26,32)