3-thiophen-3-ylpropyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-thiophen-3-ylpropyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(3-thienyl)propyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thiophenyl)propyl ester IUPAC Name: 3-thiophen-3-ylpropyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thienyl)propyl ester Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCC2=CSC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCC2=CSC=C2

InChI

InChI=1S/C14H18N2O3S2/c1-9-12(11(7-17)16-14(20)15-9)13(18)19-5-2-3-10-4-6-21-8-10/h4,6,8,11,17H,2-3,5,7H2,1H3,(H2,15,16,20)