1-cyclohexyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-cyclohexyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-cyclohexyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione CAS Name: 1-cyclohexyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-cyclohexyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-cyclohexyl-8-[1-(3-fluorobenzyl)pyrazol-4-yl]-7H-xanthine Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C21H21FN6O2/c22-15-6-4-5-13(9-15)11-27-12-14(10-23-27)18-24-17-19(25-18)26-21(30)28(20(17)29)16-7-2-1-3-8-16/h4-6,9-10,12,16H,1-3,7-8,11H2,(H,24,25)(H,26,30)