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

Systemtic Name: 2-azanyl-6-pentylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 2-amino-9-benzyl-6-pentylsulfanyl-7H-purin-8-one CAS Name: 2-amino-6-(pentylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 2-amino-9-benzyl-6-pentylsulfanyl-7H-purin-8-one Traditional Name: 2-amino-6-(amylthio)-9-benzyl-7H-purin-8-one Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

Isomeric SMILES

CCCCCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

InChI

InChI=1S/C17H21N5OS/c1-2-3-7-10-24-15-13-14(20-16(18)21-15)22(17(23)19-13)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,19,23)(H2,18,20,21)