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

Systemtic Name: 3-[4-(butylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(butylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-(butylamino)-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(butylamino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[4-(butylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium Formula: C17H30N5+ MolecularWeight: 304.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC2=C1C(=C(N2CCC[NH+](C)C)C)C

Isomeric SMILES

CCCCNC1=NC=NC2=C1C(=C(N2CCC[NH+](C)C)C)C

InChI

InChI=1S/C17H29N5/c1-6-7-9-18-16-15-13(2)14(3)22(11-8-10-21(4)5)17(15)20-12-19-16/h12H,6-11H2,1-5H3,(H,18,19,20)/p+1