5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride

Systemtic Name: 5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride Openeye Name: 5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-thioxo-hexahydropyrimidine-4,6-dione hydrochloride CAS Name: 5-phenyl-5-[2-(1-pyrrolidinyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride IUPAC Name: 5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride Traditional Name: 5-phenyl-5-(2-pyrrolidinoethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone hydrochloride Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CCN(C1)CCC2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C16H19N3O2S.ClH/c20-13-16(12-6-2-1-3-7-12,14(21)18-15(22)17-13)8-11-19-9-4-5-10-19;/h1-3,6-7H,4-5,8-11H2,(H2,17,18,20,21,22);1H