8-cyclopentyl-7-methyl-6-methylsulfanyl-3-propyl-purin-2-one

Systemtic Name: 8-cyclopentyl-7-methyl-6-methylsulfanyl-3-propyl-purin-2-one Openeye Name: 8-cyclopentyl-7-methyl-6-methylsulfanyl-3-propyl-purin-2-one CAS Name: 8-cyclopentyl-7-methyl-6-(methylthio)-3-propyl-2-purinone IUPAC Name: 8-cyclopentyl-7-methyl-6-methylsulfanyl-3-propylpurin-2-one Traditional Name: 8-cyclopentyl-7-methyl-6-(methylthio)-3-propyl-purin-2-one Formula: C15H22N4OS MolecularWeight: 306.42638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)N(C(=N2)C3CCCC3)C

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)N(C(=N2)C3CCCC3)C

InChI

InChI=1S/C15H22N4OS/c1-4-9-19-13-11(14(21-3)17-15(19)20)18(2)12(16-13)10-7-5-6-8-10/h10H,4-9H2,1-3H3