3-[2-(4-aminophenyl)ethyl]-8-[(4-fluorophenyl)methyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-8-[(4-fluorophenyl)methyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-[(4-fluorophenyl)methyl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-8-[(4-fluorophenyl)methyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-[(4-fluorophenyl)methyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-(4-fluorobenzyl)-1-propyl-7H-purine-2,6-quinone Formula: C23H24FN5O2 MolecularWeight: 421.467363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN5O2/c1-2-12-29-22(30)20-21(27-19(26-20)14-16-3-7-17(24)8-4-16)28(23(29)31)13-11-15-5-9-18(25)10-6-15/h3-10H,2,11-14,25H2,1H3,(H,26,27)