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

Systemtic Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-propan-2-yl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-isopropyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-1-propan-2-yl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-propan-2-yl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[1-(3-fluorobenzyl)pyrazol-4-yl]-1-isopropyl-7H-xanthine Formula: C18H17FN6O2 MolecularWeight: 368.364983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CC(C)N1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C18H17FN6O2/c1-10(2)25-17(26)14-16(23-18(25)27)22-15(21-14)12-7-20-24(9-12)8-11-4-3-5-13(19)6-11/h3-7,9-10H,8H2,1-2H3,(H,21,22)(H,23,27)