1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-2,4-dioxo-6-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-2,4-dioxo-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Formula: C17H21N6O2+ MolecularWeight: 341.38764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H20N6O2/c1-20-15(14(10-18)16(24)21(2)17(20)25)23-8-6-22(7-9-23)12-13-4-3-5-19-11-13/h3-5,11H,6-9,12H2,1-2H3/p+1