(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methylbenzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H17N5O2/c1-12-6-5-7-13(10-12)16(24)25-11-15-21-17(19)23-18(22-15)20-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H3,19,20,21,22,23)