3-(4-fluoranylbutyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione

Systemtic Name: 3-(4-fluoranylbutyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-(4-fluorobutyl)-7H-purine-2,6-dione CAS Name: 3-(4-fluorobutyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-(4-fluorobutyl)-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-(4-fluorobutyl)-7H-purine-2,6-quinone Formula: C19H19FN6O2 MolecularWeight: 382.391563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4CCCCF

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4CCCCF

InChI

InChI=1S/C19H19FN6O2/c20-8-4-5-9-26-17-15(18(27)24-19(26)28)22-16(23-17)14-10-21-25(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,22,23)(H,24,27,28)