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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 5-methylpyrazine-2-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C17H17N7O2/c1-10-3-5-12(6-4-10)21-17-23-14(22-16(18)24-17)9-26-15(25)13-8-19-11(2)7-20-13/h3-8H,9H2,1-2H3,(H3,18,21,22,23,24)