3-[4-(furan-2-ylmethylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-(furan-2-ylmethylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(2-furylmethylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-(2-furanylmethylamino)-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(furan-2-ylmethylamino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[4-(2-furfurylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCC3=CC=CO3)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC3=CC=CO3)CCC[NH+](C)C)C

InChI

InChI=1S/C18H25N5O/c1-13-14(2)23(9-6-8-22(3)4)18-16(13)17(20-12-21-18)19-11-15-7-5-10-24-15/h5,7,10,12H,6,8-9,11H2,1-4H3,(H,19,20,21)/p+1