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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-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 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O2/c1-12-13(2)23-17-9-8-14(10-16(12)17)19(28)29-11-18-25-20(22)27-21(26-18)24-15-6-4-3-5-7-15/h3-10,23H,11H2,1-2H3,(H3,22,24,25,26,27)