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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-ethylbenzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic 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:

CCC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N)N

InChI

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