8-(3-azanylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]-1-methyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-[(4-fluorophenyl)methylamino]-1-methyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-[(4-fluorophenyl)methylamino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-[(4-fluorophenyl)methylamino]-1-methylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-[(4-fluorobenzyl)amino]-1-methyl-purin-6-one Formula: C25H28FN7O MolecularWeight: 461.534523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1NCC3=CC=C(C=C3)F)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

Isomeric SMILES

CN1C(=O)C2=C(N=C1NCC3=CC=C(C=C3)F)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

InChI

InChI=1S/C25H28FN7O/c1-31-23(34)21-22(29-24(31)28-14-17-9-11-19(26)12-10-17)30-25(32-13-5-8-20(27)16-32)33(21)15-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16,27H2,1H3,(H,28,29)