3-[2-(4-aminophenyl)ethyl]-8-[(5-fluoranylpyrimidin-2-yl)methyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-8-[(5-fluoranylpyrimidin-2-yl)methyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-[(5-fluoropyrimidin-2-yl)methyl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-8-[(5-fluoro-2-pyrimidinyl)methyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-[(5-fluoropyrimidin-2-yl)methyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-[(5-fluoropyrimidin-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=C(C=N3)F)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=C(C=N3)F)N(C1=O)CCC4=CC=C(C=C4)N

InChI

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