4-[2,6-bis(azanyl)-4-ethyl-pyrimidin-1-ium-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2,6-bis(azanyl)-4-ethyl-pyrimidin-1-ium-5-yl]benzenecarbonitrile Openeye Name: 4-(2,6-diamino-4-ethyl-pyrimidin-1-ium-5-yl)benzonitrile CAS Name: 4-(2,6-diamino-4-ethyl-5-pyrimidin-1-iumyl)benzonitrile IUPAC Name: 4-(2,6-diamino-4-ethylpyrimidin-1-ium-5-yl)benzonitrile Traditional Name: 4-(2,6-diamino-4-ethyl-pyrimidin-1-ium-5-yl)benzonitrile Formula: C13H14N5+ MolecularWeight: 240.28376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=N1)N)N)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=N1)N)N)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H13N5/c1-2-10-11(12(15)18-13(16)17-10)9-5-3-8(7-14)4-6-9/h3-6H,2H2,1H3,(H4,15,16,17,18)/p+1