8-(3-azanylpiperidin-1-yl)-7-(phenylmethyl)-2-(phenylmethylsulfanyl)-3H-purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-(phenylmethyl)-2-(phenylmethylsulfanyl)-3H-purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-benzylsulfanyl-3H-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-7-(phenylmethyl)-2-(phenylmethylthio)-3H-purin-6-one IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-benzylsulfanyl-3H-purin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(benzylthio)-3H-purin-6-one Formula: C24H26N6OS MolecularWeight: 446.56784

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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)SCC5=CC=CC=C5)N

Isomeric SMILES

C1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N=C(N3)SCC5=CC=CC=C5)N

InChI

InChI=1S/C24H26N6OS/c25-19-12-7-13-29(15-19)24-27-21-20(30(24)14-17-8-3-1-4-9-17)22(31)28-23(26-21)32-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16,25H2,(H,26,28,31)