3-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H17N7O3 MolecularWeight: 403.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H17N7O3/c1-11-6-2-5-9-14(11)22-20-24-15(23-19(21)25-20)10-27-17(28)13-8-4-3-7-12(13)16(26-27)18(29)30/h2-9H,10H2,1H3,(H,29,30)(H3,21,22,23,24,25)