5-octan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-octan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1-methylheptyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-octan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-octan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(1-methylheptyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1C(=O)NC(=S)NC1=O

Isomeric SMILES

CCCCCCC(C)C1C(=O)NC(=S)NC1=O

InChI

InChI=1S/C12H20N2O2S/c1-3-4-5-6-7-8(2)9-10(15)13-12(17)14-11(9)16/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16,17)