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

Systemtic Name: 3-(furan-2-ylmethyl)-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-benzyl-3-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-(2-furanylmethyl)-5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-benzyl-3-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-benzyl-3-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H21N4O+ MolecularWeight: 333.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CO3)N)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CO3)N)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H20N4O/c1-14-15(2)24(11-16-7-4-3-5-8-16)20-18(14)19(21)23(13-22-20)12-17-9-6-10-25-17/h3-10,13,21H,11-12H2,1-2H3/p+1