1,3-dimethyl-2,4-bis(oxidanylidene)-6-[2-(pyridin-1-ium-2-ylamino)ethylamino]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[2-(pyridin-1-ium-2-ylamino)ethylamino]pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-2,4-dioxo-6-[2-(pyridin-1-ium-2-ylamino)ethylamino]pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[2-(2-pyridin-1-iumylamino)ethylamino]-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-2,4-dioxo-6-[2-(pyridin-1-ium-2-ylamino)ethylamino]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[2-(pyridin-1-ium-2-ylamino)ethylamino]pyrimidine-5-carbonitrile Formula: C14H17N6O2+ MolecularWeight: 301.32378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)NCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H16N6O2/c1-19-12(10(9-15)13(21)20(2)14(19)22)18-8-7-17-11-5-3-4-6-16-11/h3-6,18H,7-8H2,1-2H3,(H,16,17)/p+1