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

Systemtic Name: 3-[5,6-dimethyl-4-(2-methylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(isobutylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[5,6-dimethyl-4-(2-methylpropylamino)-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[5,6-dimethyl-4-(2-methylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[4-(isobutylamino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5/c1-12(2)10-18-16-15-13(3)14(4)22(9-7-8-21(5)6)17(15)20-11-19-16/h11-12H,7-10H2,1-6H3,(H,18,19,20)/p+1