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

Systemtic Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-7H-purine-2,6-dione CAS Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-butyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-butyl-8-[1-(3-fluorobenzyl)pyrazol-4-yl]-3-methyl-7H-purine-2,6-quinone Formula: C20H21FN6O2 MolecularWeight: 396.418143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)C

InChI

InChI=1S/C20H21FN6O2/c1-3-4-8-27-19(28)16-18(25(2)20(27)29)24-17(23-16)14-10-22-26(12-14)11-13-6-5-7-15(21)9-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,23,24)