4-[[9-(4-chlorophenyl)purin-6-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[9-(4-chlorophenyl)purin-6-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[9-(4-chlorophenyl)purin-6-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[9-(4-chlorophenyl)-6-purinyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[9-(4-chlorophenyl)purin-6-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[9-(4-chlorophenyl)purin-6-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H18ClN7O MolecularWeight: 431.87762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3N=CN4C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3N=CN4C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H18ClN7O/c1-14-18(22(31)30(28(14)2)17-6-4-3-5-7-17)27-20-19-21(25-12-24-20)29(13-26-19)16-10-8-15(23)9-11-16/h3-13H,1-2H3,(H,24,25,27)