8-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfanyl-3-propyl-7H-purin-2-one

Systemtic Name: 8-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfanyl-3-propyl-7H-purin-2-one Openeye Name: 8-(3,5-dimethylisoxazol-4-yl)-6-methylsulfanyl-3-propyl-7H-purin-2-one CAS Name: 8-(3,5-dimethyl-4-isoxazolyl)-6-(methylthio)-3-propyl-7H-purin-2-one IUPAC Name: 8-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfanyl-3-propyl-7H-purin-2-one Traditional Name: 8-(3,5-dimethylisoxazol-4-yl)-6-(methylthio)-3-propyl-7H-purin-2-one Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3=C(ON=C3C)C

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3=C(ON=C3C)C

InChI

InChI=1S/C14H17N5O2S/c1-5-6-19-12-10(13(22-4)17-14(19)20)15-11(16-12)9-7(2)18-21-8(9)3/h5-6H2,1-4H3,(H,15,16)