3-octyl-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-octyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-octyl-2-thioxo-hexahydropyrimidin-4-one Formula: C12H22N2OS MolecularWeight: 242.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CCNC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)CCNC1=S

InChI

InChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-10-14-11(15)8-9-13-12(14)16/h2-10H2,1H3,(H,13,16)