4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-6-propoxy-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-6-propoxy-pyrimidine-5-carbonitrile Openeye Name: 4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-6-propoxy-pyrimidine-5-carbonitrile CAS Name: 4-(4-oxido-4-thiomorpholin-4-iumyl)-2-(1-piperazinyl)-6-propoxy-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-6-propoxypyrimidine-5-carbonitrile Traditional Name: 4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazino-6-propoxy-pyrimidine-5-carbonitrile Formula: C16H24N6O2S MolecularWeight: 364.46576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1C#N)[N+]2(CCSCC2)[O-])N3CCNCC3

Isomeric SMILES

CCCOC1=NC(=NC(=C1C#N)[N+]2(CCSCC2)[O-])N3CCNCC3

InChI

InChI=1S/C16H24N6O2S/c1-2-9-24-15-13(12-17)14(22(23)7-10-25-11-8-22)19-16(20-15)21-5-3-18-4-6-21/h18H,2-11H2,1H3