N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-(3-isoindolin-2-ium-2-ylpropyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine CAS Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-4-(1,3,5-trimethyl-4-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: 3-isoindolin-2-ium-2-ylpropyl-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amine Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)NCCC[NH+]3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)NCCC[NH+]3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N6/c1-15-20(16(2)26(3)25-15)19-9-11-23-21(24-19)22-10-6-12-27-13-17-7-4-5-8-18(17)14-27/h4-5,7-9,11H,6,10,12-14H2,1-3H3,(H,22,23,24)/p+1