6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-(pentylthio)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-(amylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-3-4-5-9-25-17-18-11(2)14(16(21)22)15(19-17)12-7-6-8-13(10-12)20(23)24/h6-8,10,15H,3-5,9H2,1-2H3,(H,18,19)(H,21,22)