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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5/c1-4-5-9-21-11-20-17-15(16(21)18)12(2)13(3)22(17)14-7-6-8-19-10-14/h6-8,10-11,18H,4-5,9H2,1-3H3/p+1