8-(3-azanylpiperidin-1-yl)-2-methylsulfanyl-1-phenacyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-methylsulfanyl-1-phenacyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-methylsulfanyl-1-phenacyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-(methylthio)-1-phenacyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-methylsulfanyl-1-phenacylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(methylthio)-1-phenacyl-purin-6-one Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O2S/c1-35-26-29-23-22(24(34)32(26)17-21(33)19-11-6-3-7-12-19)31(15-18-9-4-2-5-10-18)25(28-23)30-14-8-13-20(27)16-30/h2-7,9-12,20H,8,13-17,27H2,1H3