3-[2-(4-azanyl-2-fluoranyl-phenyl)ethyl]-1-propyl-8-(1H-pyrrol-3-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-azanyl-2-fluoranyl-phenyl)ethyl]-1-propyl-8-(1H-pyrrol-3-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-amino-2-fluoro-phenyl)ethyl]-1-propyl-8-(1H-pyrrol-3-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-amino-2-fluorophenyl)ethyl]-1-propyl-8-(1H-pyrrol-3-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-amino-2-fluorophenyl)ethyl]-1-propyl-8-(1H-pyrrol-3-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-amino-2-fluoro-phenyl)ethyl]-1-propyl-8-(1H-pyrrol-3-ylmethyl)-7H-purine-2,6-quinone Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CNC=C3)N(C1=O)CCC4=C(C=C(C=C4)N)F

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CNC=C3)N(C1=O)CCC4=C(C=C(C=C4)N)F

InChI

InChI=1S/C21H23FN6O2/c1-2-8-28-20(29)18-19(26-17(25-18)10-13-5-7-24-12-13)27(21(28)30)9-6-14-3-4-15(23)11-16(14)22/h3-5,7,11-12,24H,2,6,8-10,23H2,1H3,(H,25,26)