5,6-dimethyl-3-(2-methylpropyl)-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 5,6-dimethyl-3-(2-methylpropyl)-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-isobutyl-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(3-pyridinyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(2-methylpropyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-isobutyl-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C17H22N5+ MolecularWeight: 296.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC(C)C)N)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC(C)C)N)C3=CN=CC=C3)C

InChI

InChI=1S/C17H21N5/c1-11(2)9-21-10-20-17-15(16(21)18)12(3)13(4)22(17)14-6-5-7-19-8-14/h5-8,10-11,18H,9H2,1-4H3/p+1