5-(2-hydroxyethyl)-5-(2-methylpentyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(2-hydroxyethyl)-5-(2-methylpentyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(2-hydroxyethyl)-5-(2-methylpentyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(2-hydroxyethyl)-5-(2-methylpentyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(2-hydroxyethyl)-5-(2-methylpentyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-hydroxyethyl)-5-(2-methylpentyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H20N2O3S MolecularWeight: 272.3638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC1(C(=O)NC(=S)NC1=O)CCO

Isomeric SMILES

CCCC(C)CC1(C(=O)NC(=S)NC1=O)CCO

InChI

InChI=1S/C12H20N2O3S/c1-3-4-8(2)7-12(5-6-15)9(16)13-11(18)14-10(12)17/h8,15H,3-7H2,1-2H3,(H2,13,14,16,17,18)