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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-methylindole-3-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CN(C4=CC=CC=C43)C

InChI

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