propan-2-yl 2-(2-dimethylaminoethylsulfanyl)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 2-(2-dimethylaminoethylsulfanyl)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Openeye Name: isopropyl 2-(2-dimethylaminoethylsulfanyl)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 2-(2-dimethylaminoethylthio)-4-methyl-6-(3-nitrophenyl)-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-dimethylaminoethylsulfanyl)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Traditional Name: 2-(2-dimethylaminoethylthio)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid isopropyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])SCCN(C)C

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])SCCN(C)C

InChI

InChI=1S/C19H24N4O4S/c1-12(2)27-18(24)16-13(3)20-19(28-10-9-22(4)5)21-17(16)14-7-6-8-15(11-14)23(25)26/h6-8,11-12H,9-10H2,1-5H3