1,3-diethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)