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

Systemtic Name: (4-butylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-butylphenyl)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-butylphenyl)methyl ester IUPAC Name: (4-butylphenyl)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-butylbenzyl) ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)COC(=O)C2=C(NC(=S)NC2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)COC(=O)C2=C(NC(=S)NC2)C

InChI

InChI=1S/C17H22N2O2S/c1-3-4-5-13-6-8-14(9-7-13)11-21-16(20)15-10-18-17(22)19-12(15)2/h6-9H,3-5,10-11H2,1-2H3,(H2,18,19,22)