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

Systemtic Name: 4-thiophen-3-ylbutyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 4-(3-thienyl)butyl 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 4-(3-thiophenyl)butyl ester IUPAC Name: 4-thiophen-3-ylbutyl 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 4-(3-thienyl)butyl ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCCC2=CSC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCCC2=CSC=C2

InChI

InChI=1S/C15H20N2O3S2/c1-10-13(12(8-18)17-15(21)16-10)14(19)20-6-3-2-4-11-5-7-22-9-11/h5,7,9,12,18H,2-4,6,8H2,1H3,(H2,16,17,21)