2-methylpropyl 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl 6-methyl-4-phenethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-phenethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CCC2=CC=CC=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)CCC2=CC=CC=C2)C(=O)OCC(C)C

InChI

InChI=1S/C18H24N2O2S/c1-12(2)11-22-17(21)16-13(3)19-18(23)20-15(16)10-9-14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3,(H2,19,20,23)