6-azanyl-2-cyclohexylsulfanyl-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-cyclohexylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-cyclohexylsulfanyl-7H-purin-8-one CAS Name: 6-amino-2-(cyclohexylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-cyclohexylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(cyclohexylthio)-7H-purin-8-one Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C18H21N5OS/c19-15-14-16(22-17(21-15)25-13-9-5-2-6-10-13)23(18(24)20-14)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,20,24)(H2,19,21,22)