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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic 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 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)N=C1C

InChI

InChI=1S/C21H19N7O2/c1-12-13(2)24-17-10-14(8-9-16(17)23-12)19(29)30-11-18-26-20(22)28-21(27-18)25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H3,22,25,26,27,28)