2-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-3,7-dihydropurin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-3,7-dihydropurin-6-one Openeye Name: 2-[(4-fluorophenyl)methyl]-8-(4-piperidylamino)-3,7-dihydropurin-6-one CAS Name: 2-[(4-fluorophenyl)methyl]-8-(4-piperidinylamino)-3,7-dihydropurin-6-one IUPAC Name: 2-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-3,7-dihydropurin-6-one Traditional Name: 2-(4-fluorobenzyl)-8-(4-piperidylamino)-3,7-dihydropurin-6-one Formula: C17H19FN6O MolecularWeight: 342.370763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=NC3=C(N2)C(=O)N=C(N3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CNCCC1NC2=NC3=C(N2)C(=O)N=C(N3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C17H19FN6O/c18-11-3-1-10(2-4-11)9-13-21-15-14(16(25)22-13)23-17(24-15)20-12-5-7-19-8-6-12/h1-4,12,19H,5-9H2,(H3,20,21,22,23,24,25)