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

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

CCCCN1C(=C(C2=C1N=C[N+](=C2N)CC3=CC=CC=N3)C)C

Isomeric SMILES

CCCCN1C(=C(C2=C1N=C[N+](=C2N)CC3=CC=CC=N3)C)C

InChI

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