1,3-dimethyl-8-[[(4-phenoxyphenyl)amino]methyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(4-phenoxyphenyl)amino]methyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-phenoxyanilino)methyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-phenoxyanilino)methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-phenoxyanilino)methyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-phenoxyanilino)methyl]-7H-purine-2,6-quinone Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3/c1-24-18-17(19(26)25(2)20(24)27)22-16(23-18)12-21-13-8-10-15(11-9-13)28-14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3,(H,22,23)