(phenylmethyl) 6-methyl-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(1-ethylpropyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-4-pentan-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1-ethylpropyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C(=C(NC(=S)N1)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(CC)C1C(=C(NC(=S)N1)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O2S/c1-4-14(5-2)16-15(12(3)19-18(23)20-16)17(21)22-11-13-9-7-6-8-10-13/h6-10,14,16H,4-5,11H2,1-3H3,(H2,19,20,23)