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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3,5-dimethylbenzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H15N5O2 MolecularWeight: 273.2905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2/c1-7-3-8(2)5-9(4-7)11(19)20-6-10-16-12(14)18-13(15)17-10/h3-5H,6H2,1-2H3,(H4,14,15,16,17,18)