ethyl 6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-2-(pentylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(amylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O4S/c1-4-6-7-11-27-19-20-13(3)16(18(23)26-5-2)17(21-19)14-9-8-10-15(12-14)22(24)25/h8-10,12,17H,4-7,11H2,1-3H3,(H,20,21)