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

Systemtic Name: 1,3-dibutyl-7-(2-oxidanylidenepropyl)-6-sulfanylidene-purin-2-one Openeye Name: 7-acetonyl-1,3-dibutyl-6-thioxo-purin-2-one CAS Name: 1,3-dibutyl-7-(2-oxopropyl)-6-sulfanylidene-2-purinone IUPAC Name: 1,3-dibutyl-7-(2-oxopropyl)-6-sulfanylidenepurin-2-one Traditional Name: 7-acetonyl-1,3-dibutyl-6-thioxo-purin-2-one Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)N(C1=O)CCCC)N(C=N2)CC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=S)N(C1=O)CCCC)N(C=N2)CC(=O)C

InChI

InChI=1S/C16H24N4O2S/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(23)20(16(19)22)9-7-5-2/h11H,4-10H2,1-3H3