8-(2-methylpropyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one

Systemtic Name: 8-(2-methylpropyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one Openeye Name: 8-isobutyl-6-methylsulfanyl-3-propyl-7H-purin-2-one CAS Name: 8-(2-methylpropyl)-6-(methylthio)-3-propyl-7H-purin-2-one IUPAC Name: 8-(2-methylpropyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one Traditional Name: 8-isobutyl-6-(methylthio)-3-propyl-7H-purin-2-one Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)CC(C)C

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)CC(C)C

InChI

InChI=1S/C13H20N4OS/c1-5-6-17-11-10(12(19-4)16-13(17)18)14-9(15-11)7-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)