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

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-allylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-(prop-2-enylthio)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-(allylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15N3O4S/c1-3-7-23-15-16-9(2)12(14(19)20)13(17-15)10-5-4-6-11(8-10)18(21)22/h3-6,8,13H,1,7H2,2H3,(H,16,17)(H,19,20)