7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-3H-purin-6-one

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-3H-purin-6-one Openeye Name: 7-[(4-fluorophenyl)methyl]-8-[(1-methyl-4-piperidyl)amino]-3H-purin-6-one CAS Name: 7-[(4-fluorophenyl)methyl]-8-[(1-methyl-4-piperidinyl)amino]-3H-purin-6-one IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-3H-purin-6-one Traditional Name: 7-(4-fluorobenzyl)-8-[(1-methyl-4-piperidyl)amino]-3H-purin-6-one Formula: C18H21FN6O MolecularWeight: 356.397343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N=CN3

Isomeric SMILES

CN1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N=CN3

InChI

InChI=1S/C18H21FN6O/c1-24-8-6-14(7-9-24)22-18-23-16-15(17(26)21-11-20-16)25(18)10-12-2-4-13(19)5-3-12/h2-5,11,14H,6-10H2,1H3,(H2,20,21,22,23,26)