[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H20N6O3/c1-2-13-7-4-6-10-16(13)25-22-27-18(26-21(23)28-22)12-31-20(30)17-11-14-8-3-5-9-15(14)19(29)24-17/h3-11H,2,12H2,1H3,(H,24,29)(H3,23,25,26,27,28)