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

Systemtic Name: pentyl (4R)-6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (4R)-6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2O2S/c1-3-4-8-11-21-16(20)14-12(2)18-17(22)19-15(14)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11H2,1-2H3,(H2,18,19,22)/t15-/m1/s1