6-azanyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-7H-purin-8-one CAS Name: 6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-[2-(1,3-dioxolan-2-yl)ethylthio]-7H-purin-8-one Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1COC(O1)CCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C17H19N5O3S/c18-14-13-15(21-16(20-14)26-9-6-12-24-7-8-25-12)22(17(23)19-13)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,19,23)(H2,18,20,21)