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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C25H27N7O4 MolecularWeight: 489.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4OC)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4OC)N

InChI

InChI=1S/C25H27N7O4/c1-3-4-9-14-32-22(33)17-11-6-5-10-16(17)21(31-32)23(34)36-15-20-28-24(26)30-25(29-20)27-18-12-7-8-13-19(18)35-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H3,26,27,28,29,30)