8-[5-azanyl-3-(4-chlorophenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[5-azanyl-3-(4-chlorophenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H14ClN7O2 MolecularWeight: 371.78106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C16H14ClN7O2/c1-22-13-12(14(25)23(2)16(22)26)19-15(20-13)24-11(18)7-10(21-24)8-3-5-9(17)6-4-8/h3-7H,18H2,1-2H3,(H,19,20)