1,3-diethyl-7-(2-oxidanylidenepropyl)-2-sulfanylidene-purin-6-one

Systemtic Name: 1,3-diethyl-7-(2-oxidanylidenepropyl)-2-sulfanylidene-purin-6-one Openeye Name: 7-acetonyl-1,3-diethyl-2-thioxo-purin-6-one CAS Name: 1,3-diethyl-7-(2-oxopropyl)-2-sulfanylidene-6-purinone IUPAC Name: 1,3-diethyl-7-(2-oxopropyl)-2-sulfanylidenepurin-6-one Traditional Name: 7-acetonyl-1,3-diethyl-2-thioxo-purin-6-one Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=S)CC)N(C=N2)CC(=O)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=S)CC)N(C=N2)CC(=O)C

InChI

InChI=1S/C12H16N4O2S/c1-4-15-10-9(11(18)16(5-2)12(15)19)14(7-13-10)6-8(3)17/h7H,4-6H2,1-3H3