(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (4-amino-6-anilino-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-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-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-anilino-s-triazin-2-yl)methyl ester Formula: C20H16N6O3 MolecularWeight: 388.37944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O3/c21-19-24-16(25-20(26-19)22-13-7-2-1-3-8-13)11-29-18(28)15-10-12-6-4-5-9-14(12)17(27)23-15/h1-10H,11H2,(H,23,27)(H3,21,22,24,25,26)