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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)C

Isomeric SMILES

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)C

InChI

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