2,6-bis(azanyl)-4-(4-methyl-2-sulfanyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-bis(azanyl)-4-(4-methyl-2-sulfanyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-diamino-4-(4-methyl-2-sulfanyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-diamino-4-(2-mercapto-4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-diamino-4-(4-methyl-2-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-diamino-4-(2-mercapto-4-methyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=C2C(=O)O)N)N)C(=O)O)S

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(=C(NC(=C2C(=O)O)N)N)C(=O)O)S

InChI

InChI=1S/C14H15N3O4S/c1-5-2-3-6(7(22)4-5)8-9(13(18)19)11(15)17-12(16)10(8)14(20)21/h2-4,8,17,22H,15-16H2,1H3,(H,18,19)(H,20,21)