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

Systemtic Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-isobutyl-5,6-dimethyl-7-(2-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(2-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-isobutyl-5,6-dimethyl-7-(2-pyridylmethyl)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=C(N(C2=C1C(=[N+](C=N2)CC(C)C)N)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC(C)C)N)CC3=CC=CC=N3)C

InChI

InChI=1S/C18H23N5/c1-12(2)9-22-11-21-18-16(17(22)19)13(3)14(4)23(18)10-15-7-5-6-8-20-15/h5-8,11-12,19H,9-10H2,1-4H3/p+1