6-azanyl-2-(3-methylbutylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(3-methylbutylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-isopentylsulfanyl-7H-purin-8-one CAS Name: 6-amino-2-(3-methylbutylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(3-methylbutylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(isoamylthio)-7H-purin-8-one Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5OS/c1-11(2)8-9-24-16-20-14(18)13-15(21-16)22(17(23)19-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,19,23)(H2,18,20,21)