1-(2-methylprop-2-enyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 1-(2-methylprop-2-enyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(2-methylallyl)-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(2-methylprop-2-enyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(2-methylprop-2-enyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(2-methylallyl)-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C13H21N4OS+ MolecularWeight: 281.39704

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CC(=C)C

Isomeric SMILES

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CC(=C)C

InChI

InChI=1S/C13H20N4OS/c1-4-5-16-7-10-11(14-8-16)17(6-9(2)3)13(19)15-12(10)18/h14H,2,4-8H2,1,3H3,(H,15,18,19)/p+1