6-azanyl-5,5-dibutyl-2-sulfanylidene-pyrimidin-1-ium-4-one

Systemtic Name: 6-azanyl-5,5-dibutyl-2-sulfanylidene-pyrimidin-1-ium-4-one Openeye Name: 6-amino-5,5-dibutyl-2-thioxo-pyrimidin-1-ium-4-one CAS Name: 6-amino-5,5-dibutyl-2-sulfanylidene-4-pyrimidin-1-iumone IUPAC Name: 6-amino-5,5-dibutyl-2-sulfanylidenepyrimidin-1-ium-4-one Traditional Name: 6-amino-5,5-dibutyl-2-thioxo-pyrimidin-1-ium-4-one Formula: C12H22N3OS+ MolecularWeight: 256.38758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=[NH+]C(=S)NC1=O)N)CCCC

Isomeric SMILES

CCCCC1(C(=[NH+]C(=S)NC1=O)N)CCCC

InChI

InChI=1S/C12H21N3OS/c1-3-5-7-12(8-6-4-2)9(13)14-11(17)15-10(12)16/h3-8H2,1-2H3,(H3,13,14,15,16,17)/p+1