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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-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-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-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-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H18N6O3/c1-12-6-8-14(9-7-12)23-21-26-17(25-20(22)27-21)11-30-19(29)16-10-13-4-2-3-5-15(13)18(28)24-16/h2-10H,11H2,1H3,(H,24,28)(H3,22,23,25,26,27)