methyl 4-[(2-azanyl-6-phenylazanyl-purin-9-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-azanyl-6-phenylazanyl-purin-9-yl)methyl]benzoate Openeye Name: methyl 4-[(2-amino-6-anilino-purin-9-yl)methyl]benzoate CAS Name: 4-[(2-amino-6-anilino-9-purinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-6-anilinopurin-9-yl)methyl]benzoate Traditional Name: 4-[(2-amino-6-anilino-purin-9-yl)methyl]benzoic acid methyl ester Formula: C20H18N6O2 MolecularWeight: 374.39592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)N

InChI

InChI=1S/C20H18N6O2/c1-28-19(27)14-9-7-13(8-10-14)11-26-12-22-16-17(24-20(21)25-18(16)26)23-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H3,21,23,24,25)