5-(3-methylbutyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(3-methylbutyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-isopentyl-5-propyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(3-methylbutyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(3-methylbutyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-isoamyl-5-propyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NC(=S)NC1=O)CCC(C)C

Isomeric SMILES

CCCC1(C(=O)NC(=S)NC1=O)CCC(C)C

InChI

InChI=1S/C12H20N2O2S/c1-4-6-12(7-5-8(2)3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)