3-[4-azanyl-3-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]propan-1-ol

Systemtic Name: 3-[4-azanyl-3-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]propan-1-ol Openeye Name: 3-[4-amino-3-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]propan-1-ol CAS Name: 3-[4-amino-3-(2-furanylmethyl)-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-3-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-7-yl]propan-1-ol Traditional Name: 3-[4-amino-3-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]propan-1-ol Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c1-11-12(2)20(6-4-7-21)16-14(11)15(17)19(10-18-16)9-13-5-3-8-22-13/h3,5,8,10,17,21H,4,6-7,9H2,1-2H3/p+1