5-but-3-en-2-yl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-but-3-en-2-yl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1-methylallyl)-5-pentyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-but-3-en-2-yl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-but-3-en-2-yl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-amyl-5-(1-methylallyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(=O)NC(=S)NC1=O)C(C)C=C

Isomeric SMILES

CCCCCC1(C(=O)NC(=S)NC1=O)C(C)C=C

InChI

InChI=1S/C13H20N2O2S/c1-4-6-7-8-13(9(3)5-2)10(16)14-12(18)15-11(13)17/h5,9H,2,4,6-8H2,1,3H3,(H2,14,15,16,17,18)