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

Systemtic Name: 8-[[(4-chlorophenyl)amino]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(4-chloroanilino)methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(4-chloroanilino)methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(4-chloroanilino)methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(4-chloroanilino)methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN5O2/c1-19-12-11(13(21)20(2)14(19)22)17-10(18-12)7-16-9-5-3-8(15)4-6-9/h3-6,16H,7H2,1-2H3,(H,17,18)