3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoranylpyrazin-2-yl)methyl]-1-pentyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoranylpyrazin-2-yl)methyl]-1-pentyl-7H-purine-2,6-dione Openeye Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoropyrazin-2-yl)methyl]-1-pentyl-7H-purine-2,6-dione CAS Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoro-2-pyrazinyl)methyl]-1-pentyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoropyrazin-2-yl)methyl]-1-pentyl-7H-purine-2,6-dione Traditional Name: 3-[2-(2-aminophenyl)ethyl]-1-amyl-8-[(3-fluoropyrazin-2-yl)methyl]-7H-purine-2,6-quinone Formula: C23H26FN7O2 MolecularWeight: 451.496643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3F)N(C1=O)CCC4=CC=CC=C4N

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3F)N(C1=O)CCC4=CC=CC=C4N

InChI

InChI=1S/C23H26FN7O2/c1-2-3-6-12-31-22(32)19-21(29-18(28-19)14-17-20(24)27-11-10-26-17)30(23(31)33)13-9-15-7-4-5-8-16(15)25/h4-5,7-8,10-11H,2-3,6,9,12-14,25H2,1H3,(H,28,29)