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

Systemtic Name: hexyl (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: hexyl (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-5-6-7-8-13-25-19(24)17-14(2)21-20(26)22-18(17)15-9-11-16(12-10-15)23(3)4/h9-12,18H,5-8,13H2,1-4H3,(H2,21,22,26)/t18-/m1/s1