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

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-propan-2-ylsulfanyl-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-isopropylsulfanyl-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-(propan-2-ylthio)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-propan-2-ylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(isopropylthio)-7H-purin-8-one Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

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