6-methylsulfanyl-8-(4-oxidanylidenecyclohexyl)-3-propyl-7H-purin-2-one

Systemtic Name: 6-methylsulfanyl-8-(4-oxidanylidenecyclohexyl)-3-propyl-7H-purin-2-one Openeye Name: 6-methylsulfanyl-8-(4-oxocyclohexyl)-3-propyl-7H-purin-2-one CAS Name: 6-(methylthio)-8-(4-oxocyclohexyl)-3-propyl-7H-purin-2-one IUPAC Name: 6-methylsulfanyl-8-(4-oxocyclohexyl)-3-propyl-7H-purin-2-one Traditional Name: 8-(4-ketocyclohexyl)-6-(methylthio)-3-propyl-7H-purin-2-one Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3CCC(=O)CC3

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3CCC(=O)CC3

InChI

InChI=1S/C15H20N4O2S/c1-3-8-19-13-11(14(22-2)18-15(19)21)16-12(17-13)9-4-6-10(20)7-5-9/h9H,3-8H2,1-2H3,(H,16,17)