[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-methylbenzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-methylbenzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C12H13N5O2/c1-7-3-2-4-8(5-7)10(18)19-6-9-15-11(13)17-12(14)16-9/h2-5H,6H2,1H3,(H4,13,14,15,16,17)