1-[1,3-dibutyl-2,6-bis(sulfanylidene)purin-7-yl]propan-2-one

Systemtic Name: 1-[1,3-dibutyl-2,6-bis(sulfanylidene)purin-7-yl]propan-2-one Openeye Name: 1-(1,3-dibutyl-2,6-dithioxo-purin-7-yl)propan-2-one CAS Name: 1-[1,3-dibutyl-2,6-bis(sulfanylidene)-7-purinyl]-2-propanone IUPAC Name: 1-[1,3-dibutyl-2,6-bis(sulfanylidene)purin-7-yl]propan-2-one Traditional Name: 1-(1,3-dibutyl-2,6-dithioxo-purin-7-yl)acetone Formula: C16H24N4OS2 MolecularWeight: 352.51796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4OS2/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2/h11H,4-10H2,1-3H3