4-methyl-6-(1-oxidanidylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-(1-oxidanidylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-(1-oxidopiperazin-1-ium-1-yl)-2-thiomorpholino-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-(1-oxido-1-piperazin-1-iumyl)-2-thiomorpholin-4-yl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-(1-oxidopiperazin-1-ium-1-yl)-2-thiomorpholin-4-ylpyrimidine-5-carbonitrile Traditional Name: 4-methyl-6-(1-oxidopiperazin-1-ium-1-yl)-2-thiomorpholino-pyrimidine-5-carbonitrile Formula: C14H20N6OS MolecularWeight: 320.4132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCSCC2)[N+]3(CCNCC3)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCSCC2)[N+]3(CCNCC3)[O-])C#N

InChI

InChI=1S/C14H20N6OS/c1-11-12(10-15)13(20(21)6-2-16-3-7-20)18-14(17-11)19-4-8-22-9-5-19/h16H,2-9H2,1H3