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

Systemtic Name: ethyl 2-oxidanylidene-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-2-oxo-4-(1-piperidylmethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-4-(1-piperidinylmethyl)-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-(piperidinomethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-3-9-23-16(13-22-10-6-5-7-11-22)17(19(24)26-4-2)18(21-20(23)25)15-8-12-27-14-15/h3,8,12,14,18H,1,4-7,9-11,13H2,2H3,(H,21,25)