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

Systemtic Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoranylpyrazin-2-yl)methyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoropyrazin-2-yl)methyl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoro-2-pyrazinyl)methyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoropyrazin-2-yl)methyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(2-aminophenyl)ethyl]-8-[(3-fluoropyrazin-2-yl)methyl]-1-propyl-7H-purine-2,6-quinone Formula: C21H22FN7O2 MolecularWeight: 423.443483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3F)N(C1=O)CCC4=CC=CC=C4N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3F)N(C1=O)CCC4=CC=CC=C4N

InChI

InChI=1S/C21H22FN7O2/c1-2-10-29-20(30)17-19(27-16(26-17)12-15-18(22)25-9-8-24-15)28(21(29)31)11-7-13-5-3-4-6-14(13)23/h3-6,8-9H,2,7,10-12,23H2,1H3,(H,26,27)