8-chloranyl-1,3-dimethyl-7-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[4-(1-pyrazolyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(4-pyrazol-1-ylbenzyl)xanthine Formula: C17H15ClN6O2 MolecularWeight: 370.793

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C17H15ClN6O2/c1-21-14-13(15(25)22(2)17(21)26)23(16(18)20-14)10-11-4-6-12(7-5-11)24-9-3-8-19-24/h3-9H,10H2,1-2H3