[4-(2-methylpropoxy)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [4-(2-methylpropoxy)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-isobutoxyphenyl)methyl 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-(2-methylpropoxy)phenyl]methyl ester IUPAC Name: [4-(2-methylpropoxy)phenyl]methyl 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 (4-isobutoxybenzyl) ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C17H22N2O3S/c1-11(2)9-21-14-6-4-13(5-7-14)10-22-16(20)15-8-18-17(23)19-12(15)3/h4-7,11H,8-10H2,1-3H3,(H2,18,19,23)