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

Systemtic Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione CAS Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-butyl-8-[1-(3-fluorobenzyl)pyrazol-4-yl]-7H-xanthine Formula: C19H19FN6O2 MolecularWeight: 382.391563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C19H19FN6O2/c1-2-3-7-26-18(27)15-17(24-19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,22,23)(H,24,28)