8-[4-[1-(3-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[1-(3-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-[1-(3-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-[[1-(3-fluorophenyl)-3-pyrrolidinyl]oxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[1-(3-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-[1-(3-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C27H30FN5O3 MolecularWeight: 491.557203

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OC4CCN(C4)C5=CC(=CC=C5)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OC4CCN(C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H30FN5O3/c1-3-13-32-25-23(26(34)33(14-4-2)27(32)35)29-24(30-25)18-8-10-21(11-9-18)36-22-12-15-31(17-22)20-7-5-6-19(28)16-20/h5-11,16,22H,3-4,12-15,17H2,1-2H3,(H,29,30)