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

Systemtic Name: 3-[2-(2-aminophenyl)ethyl]-1-butyl-8-[(3-fluoranylpyrazin-2-yl)methyl]-7H-purine-2,6-dione Openeye Name: 3-[2-(2-aminophenyl)ethyl]-1-butyl-8-[(3-fluoropyrazin-2-yl)methyl]-7H-purine-2,6-dione CAS Name: 3-[2-(2-aminophenyl)ethyl]-1-butyl-8-[(3-fluoro-2-pyrazinyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-[2-(2-aminophenyl)ethyl]-1-butyl-8-[(3-fluoropyrazin-2-yl)methyl]-7H-purine-2,6-dione Traditional Name: 3-[2-(2-aminophenyl)ethyl]-1-butyl-8-[(3-fluoropyrazin-2-yl)methyl]-7H-purine-2,6-quinone Formula: C22H24FN7O2 MolecularWeight: 437.470063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3F)N(C1=O)CCC4=CC=CC=C4N

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3F)N(C1=O)CCC4=CC=CC=C4N

InChI

InChI=1S/C22H24FN7O2/c1-2-3-11-30-21(31)18-20(28-17(27-18)13-16-19(23)26-10-9-25-16)29(22(30)32)12-8-14-6-4-5-7-15(14)24/h4-7,9-10H,2-3,8,11-13,24H2,1H3,(H,27,28)