6-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile

Systemtic Name: 6-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Openeye Name: 6-(2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile CAS Name: 6-(2-furanyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Traditional Name: 6-(2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Formula: C14H16N5O+ MolecularWeight: 270.30974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=CO3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=CO3)C#N

InChI

InChI=1S/C14H15N5O/c1-18-4-6-19(7-5-18)14-16-11(10-15)9-12(17-14)13-3-2-8-20-13/h2-3,8-9H,4-7H2,1H3/p+1