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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-oxidanylnaphthalene-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic 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-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C21H17N5O3/c22-20-24-18(25-21(26-20)23-15-8-2-1-3-9-15)12-29-19(28)16-10-13-6-4-5-7-14(13)11-17(16)27/h1-11,27H,12H2,(H3,22,23,24,25,26)