1,3-dimethyl-7-(3-oxidanylidenebutyl)-6-sulfanylidene-purin-2-one

Systemtic Name: 1,3-dimethyl-7-(3-oxidanylidenebutyl)-6-sulfanylidene-purin-2-one Openeye Name: 1,3-dimethyl-7-(3-oxobutyl)-6-thioxo-purin-2-one CAS Name: 1,3-dimethyl-7-(3-oxobutyl)-6-sulfanylidene-2-purinone IUPAC Name: 1,3-dimethyl-7-(3-oxobutyl)-6-sulfanylidenepurin-2-one Traditional Name: 7-(3-ketobutyl)-1,3-dimethyl-6-thioxo-purin-2-one Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=NC2=C1C(=S)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)CCN1C=NC2=C1C(=S)N(C(=O)N2C)C

InChI

InChI=1S/C11H14N4O2S/c1-7(16)4-5-15-6-12-9-8(15)10(18)14(3)11(17)13(9)2/h6H,4-5H2,1-3H3