6-azanyl-2-(1,3-dioxolan-2-ylmethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(1,3-dioxolan-2-ylmethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(1,3-dioxolan-2-ylmethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(1,3-dioxolan-2-ylmethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(1,3-dioxolan-2-ylmethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(1,3-dioxolan-2-ylmethylthio)-7H-purin-8-one Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1COC(O1)CSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C16H17N5O3S/c17-13-12-14(20-15(19-13)25-9-11-23-6-7-24-11)21(16(22)18-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,18,22)(H2,17,19,20)