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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-methylsulfanyl-1-phenethyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-methylsulfanyl-1-phenethyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-(methylthio)-1-phenethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-methylsulfanyl-1-phenethylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(methylthio)-1-phenethyl-purin-6-one Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6OS/c1-34-26-29-23-22(24(33)31(26)16-14-19-9-4-2-5-10-19)32(17-20-11-6-3-7-12-20)25(28-23)30-15-8-13-21(27)18-30/h2-7,9-12,21H,8,13-18,27H2,1H3