5-chloranyl-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidine-4-carbonitrile hydrochloride

Systemtic Name: 5-chloranyl-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidine-4-carbonitrile hydrochloride Openeye Name: 5-chloro-2-piperazin-1-yl-6-thiomorpholino-pyrimidine-4-carbonitrile hydrochloride CAS Name: 5-chloro-2-(1-piperazinyl)-6-thiomorpholin-4-yl-4-pyrimidinecarbonitrile hydrochloride IUPAC Name: 5-chloro-2-piperazin-1-yl-6-thiomorpholin-4-ylpyrimidine-4-carbonitrile hydrochloride Traditional Name: 5-chloro-2-piperazino-6-thiomorpholino-pyrimidine-4-carbonitrile hydrochloride Formula: C13H18Cl2N6S MolecularWeight: 361.29322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=C(C(=N2)N3CCSCC3)Cl)C#N.Cl

Isomeric SMILES

C1CN(CCN1)C2=NC(=C(C(=N2)N3CCSCC3)Cl)C#N.Cl

InChI

InChI=1S/C13H17ClN6S.ClH/c14-11-10(9-15)17-13(20-3-1-16-2-4-20)18-12(11)19-5-7-21-8-6-19;/h16H,1-8H2;1H