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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-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 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-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=CC(=C2C=C(NC2=C1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C

InChI

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