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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C23H23N7O3 MolecularWeight: 445.47382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

InChI=1S/C23H23N7O3/c1-13(2)30-20(31)16-10-6-5-9-15(16)19(29-30)21(32)33-12-18-26-22(24)28-23(27-18)25-17-11-7-4-8-14(17)3/h4-11,13H,12H2,1-3H3,(H3,24,25,26,27,28)