8-(3-azanylpiperidin-1-yl)-1-phenacyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-phenacyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1-phenacyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-phenacyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1-phenacylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1-phenacyl-purin-6-one Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C=N3)CC(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C=N3)CC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C25H26N6O2/c26-20-12-7-13-29(15-20)25-28-23-22(31(25)14-18-8-3-1-4-9-18)24(33)30(17-27-23)16-21(32)19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16,26H2