2-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl]phthalazin-1-one Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H19N7O/c1-2-13-7-4-6-10-16(13)23-20-25-17(24-19(21)26-20)12-27-18(28)15-9-5-3-8-14(15)11-22-27/h3-11H,2,12H2,1H3,(H3,21,23,24,25,26)