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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methoxybenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H17N5O3/c1-25-14-9-5-6-12(10-14)16(24)26-11-15-21-17(19)23-18(22-15)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H3,19,20,21,22,23)