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

Systemtic Name: ethyl 3-methyl-2-oxidanylidene-4-(piperidin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-2-oxo-4-(1-piperidylmethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-2-oxo-4-(1-piperidinylmethyl)-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-oxo-4-(piperidin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-(piperidinomethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCCCC3

InChI

InChI=1S/C18H25N3O3S/c1-3-24-17(22)15-14(11-21-8-5-4-6-9-21)20(2)18(23)19-16(15)13-7-10-25-12-13/h7,10,12,16H,3-6,8-9,11H2,1-2H3,(H,19,23)