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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-chloranyl-1H-indole-2-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic 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 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H17ClN6O2 MolecularWeight: 408.84098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C20H17ClN6O2/c1-11-6-2-4-8-13(11)24-20-26-15(25-19(22)27-20)10-29-18(28)17-16(21)12-7-3-5-9-14(12)23-17/h2-9,23H,10H2,1H3,(H3,22,24,25,26,27)