4-phenylbutan-2-yl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 4-phenylbutan-2-yl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (1-methyl-3-phenyl-propyl) 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 4-phenylbutan-2-yl ester IUPAC Name: 4-phenylbutan-2-yl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (1-methyl-3-phenyl-propyl) ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2S/c1-11(8-9-13-6-4-3-5-7-13)20-15(19)14-10-17-16(21)18-12(14)2/h3-7,11H,8-10H2,1-2H3,(H2,17,18,21)