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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)C

InChI

InChI=1S/C18H17FN6O2/c1-3-25-17(26)14-16(23(2)18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-5-4-6-13(19)7-11/h4-8,10H,3,9H2,1-2H3,(H,21,22)