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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-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-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic 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:

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

Isomeric SMILES

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

InChI

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