ethyl 3-methyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-2-oxo-4-(1-piperazinylmethyl)-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-(piperazinomethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCNCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCNCC3

InChI

InChI=1S/C17H24N4O3S/c1-3-24-16(22)14-13(10-21-7-5-18-6-8-21)20(2)17(23)19-15(14)12-4-9-25-11-12/h4,9,11,15,18H,3,5-8,10H2,1-2H3,(H,19,23)