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

Systemtic Name: 2-azanyl-9-(phenylmethyl)-6-propylsulfanyl-7H-purin-8-one Openeye Name: 2-amino-9-benzyl-6-propylsulfanyl-7H-purin-8-one CAS Name: 2-amino-9-(phenylmethyl)-6-(propylthio)-7H-purin-8-one IUPAC Name: 2-amino-9-benzyl-6-propylsulfanyl-7H-purin-8-one Traditional Name: 2-amino-9-benzyl-6-(propylthio)-7H-purin-8-one Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

Isomeric SMILES

CCCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

InChI

InChI=1S/C15H17N5OS/c1-2-8-22-13-11-12(18-14(16)19-13)20(15(21)17-11)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,21)(H2,16,18,19)