2-[4-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C19H21N6OS+ MolecularWeight: 381.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C19H20N6OS/c1-2-15-10-16-18(27-15)22-12-25(19(16)26)13-23-5-7-24(8-6-23)17-9-14(11-20)3-4-21-17/h3-4,9-10,12H,2,5-8,13H2,1H3/p+1