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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-azanylpyrazine-2-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-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 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C16H16N8O2 MolecularWeight: 352.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C16H16N8O2/c1-9-2-4-10(5-3-9)21-16-23-11(22-15(18)24-16)8-26-14(25)12-13(17)20-7-6-19-12/h2-7H,8H2,1H3,(H2,17,20)(H3,18,21,22,23,24)