5-(2-diethylaminoethyl)-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate hydrochloride

Systemtic Name: 5-(2-diethylaminoethyl)-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate hydrochloride Openeye Name: 5-(2-diethylaminoethyl)-5-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione hydrate hydrochloride CAS Name: 5-(2-diethylaminoethyl)-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate hydrochloride IUPAC Name: 5-(2-diethylaminoethyl)-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate hydrochloride Traditional Name: 5-(2-diethylaminoethyl)-5-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone hydrate hydrochloride Formula: C16H24ClN3O3S MolecularWeight: 373.89806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2.O.Cl

Isomeric SMILES

CCN(CC)CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2.O.Cl

InChI

InChI=1S/C16H21N3O2S.ClH.H2O/c1-3-19(4-2)11-10-16(12-8-6-5-7-9-12)13(20)17-15(22)18-14(16)21;;/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,20,21,22);1H;1H2