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

Systemtic Name: 6-azanyl-2-(2-methylpropylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-isobutylsulfanyl-7H-purin-8-one CAS Name: 6-amino-2-(2-methylpropylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2-methylpropylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(isobutylthio)-7H-purin-8-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H19N5OS/c1-10(2)9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,18,22)(H2,17,19,20)