5-azanyl-3-[3-[(2,6-dimethylpyrimidin-3-ium-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(2,6-dimethylpyrimidin-3-ium-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-[(2,6-dimethylpyrimidin-3-ium-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[(2,6-dimethyl-4-pyrimidin-3-iumyl)amino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-[(2,6-dimethylpyrimidin-3-ium-4-yl)amino]propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-[(2,6-dimethylpyrimidin-3-ium-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C19H22N7+ MolecularWeight: 348.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C19H21N7/c1-13-11-18(24-14(2)23-13)22-10-6-9-17-16(12-20)19(21)26(25-17)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,21H2,1-2H3,(H,22,23,24)/p+1