2-(5-cyano-6-oxidanylidene-2,4-diphenyl-pyrimidin-1-yl)ethyl carbamimidothioate hydrochloride

Systemtic Name: 2-(5-cyano-6-oxidanylidene-2,4-diphenyl-pyrimidin-1-yl)ethyl carbamimidothioate hydrochloride Openeye Name: 2-[2-(5-cyano-6-oxo-2,4-diphenyl-pyrimidin-1-yl)ethyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid 2-(5-cyano-6-oxo-2,4-diphenyl-1-pyrimidinyl)ethyl ester hydrochloride IUPAC Name: 2-(5-cyano-6-oxo-2,4-diphenylpyrimidin-1-yl)ethyl carbamimidothioate hydrochloride Traditional Name: 2-[2-(5-cyano-6-keto-2,4-diphenyl-pyrimidin-1-yl)ethyl]isothiourea hydrochloride Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=CC=C3)CCSC(=N)N)C#N.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=CC=C3)CCSC(=N)N)C#N.Cl

InChI

InChI=1S/C20H17N5OS.ClH/c21-13-16-17(14-7-3-1-4-8-14)24-18(15-9-5-2-6-10-15)25(19(16)26)11-12-27-20(22)23;/h1-10H,11-12H2,(H3,22,23);1H