4-butyl-7-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-1,3-dimethyl-5H-purine-2,6-dione

Systemtic Name: 4-butyl-7-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-1,3-dimethyl-5H-purine-2,6-dione Openeye Name: 4-butyl-7-[4-(4-fluorobenzoyl)-1-piperidyl]-1,3-dimethyl-5H-purine-2,6-dione CAS Name: 4-butyl-7-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-1,3-dimethyl-5H-purine-2,6-dione IUPAC Name: 4-butyl-7-[4-(4-fluorobenzoyl)piperidin-1-yl]-1,3-dimethyl-5H-purine-2,6-dione Traditional Name: 4-butyl-7-[4-(4-fluorobenzoyl)piperidino]-1,3-dimethyl-5H-purine-2,6-quinone Formula: C23H30FN5O3 MolecularWeight: 443.514403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12C(C(=O)N(C(=O)N1C)C)N(C=N2)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC12C(C(=O)N(C(=O)N1C)C)N(C=N2)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H30FN5O3/c1-4-5-12-23-20(21(31)26(2)22(32)27(23)3)29(15-25-23)28-13-10-17(11-14-28)19(30)16-6-8-18(24)9-7-16/h6-9,15,17,20H,4-5,10-14H2,1-3H3