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

Systemtic Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-isobutyl-5,6-dimethyl-7-(4-methyl-2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(4-methyl-2-pyridinyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-isobutyl-5,6-dimethyl-7-(4-methyl-2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C18H24N5+ MolecularWeight: 310.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC(C)C)C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC(C)C)C)C

InChI

InChI=1S/C18H23N5/c1-11(2)9-22-10-21-18-16(17(22)19)13(4)14(5)23(18)15-8-12(3)6-7-20-15/h6-8,10-11,19H,9H2,1-5H3/p+1