3,7-dimethyl-2-(2-oxidanylidenepropylsulfanyl)purin-6-one

Systemtic Name: 3,7-dimethyl-2-(2-oxidanylidenepropylsulfanyl)purin-6-one Openeye Name: 2-acetonylsulfanyl-3,7-dimethyl-purin-6-one CAS Name: 3,7-dimethyl-2-(2-oxopropylthio)-6-purinone IUPAC Name: 3,7-dimethyl-2-(2-oxopropylsulfanyl)purin-6-one Traditional Name: 2-(acetonylthio)-3,7-dimethyl-purin-6-one Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C2=C(N1C)N=CN2C

Isomeric SMILES

CC(=O)CSC1=NC(=O)C2=C(N1C)N=CN2C

InChI

InChI=1S/C10H12N4O2S/c1-6(15)4-17-10-12-9(16)7-8(14(10)3)11-5-13(7)2/h5H,4H2,1-3H3