2-methylsulfanyl-4-piperazin-4-ium-1-yl-6-propyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-piperazin-4-ium-1-yl-6-propyl-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-piperazin-4-ium-1-yl-6-propyl-pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-(1-piperazin-4-iumyl)-6-propyl-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-piperazin-4-ium-1-yl-6-propylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-piperazin-4-ium-1-yl-6-propyl-pyrimidine-5-carbonitrile Formula: C13H20N5S+ MolecularWeight: 278.3964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)SC)N2CC[NH2+]CC2)C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)SC)N2CC[NH2+]CC2)C#N

InChI

InChI=1S/C13H19N5S/c1-3-4-11-10(9-14)12(17-13(16-11)19-2)18-7-5-15-6-8-18/h15H,3-8H2,1-2H3/p+1