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

Systemtic Name: 3-(furan-2-ylmethyl)-5,6-dimethyl-7-pyridin-2-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-(2-furylmethyl)-5,6-dimethyl-7-(2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-(2-furanylmethyl)-5,6-dimethyl-7-(2-pyridinyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-(furan-2-ylmethyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-(2-furfuryl)-5,6-dimethyl-7-(2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C18H18N5O+ MolecularWeight: 320.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CO3)N)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CO3)N)C4=CC=CC=N4)C

InChI

InChI=1S/C18H17N5O/c1-12-13(2)23(15-7-3-4-8-20-15)18-16(12)17(19)22(11-21-18)10-14-6-5-9-24-14/h3-9,11,19H,10H2,1-2H3/p+1