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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-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-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-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:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

InChI

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