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

Systemtic Name: 3-butyl-5,6-dimethyl-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-butyl-5,6-dimethyl-7-(4-methyl-2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-butyl-5,6-dimethyl-7-(4-methyl-2-pyridinyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-butyl-5,6-dimethyl-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-butyl-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:

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=NC=CC(=C3)C)N

Isomeric SMILES

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=NC=CC(=C3)C)N

InChI

InChI=1S/C18H23N5/c1-5-6-9-22-11-21-18-16(17(22)19)13(3)14(4)23(18)15-10-12(2)7-8-20-15/h7-8,10-11,19H,5-6,9H2,1-4H3/p+1