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

Systemtic Name: 3-[5,6-dimethyl-4-(3-oxidanylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(3-hydroxypropylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-(3-hydroxypropylamino)-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(3-hydroxypropylamino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[4-(3-hydroxypropylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium Formula: C16H28N5O+ MolecularWeight: 306.42642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCCO)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCCO)CCC[NH+](C)C)C

InChI

InChI=1S/C16H27N5O/c1-12-13(2)21(9-6-8-20(3)4)16-14(12)15(18-11-19-16)17-7-5-10-22/h11,22H,5-10H2,1-4H3,(H,17,18,19)/p+1