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

Systemtic Name: methyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7,12H,1-3H3,(H,15,16)