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

Systemtic Name: 3-[4-azanyl-5,6-dimethyl-3-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]propyl-dimethyl-azanium Openeye Name: 3-(4-amino-3-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl)propyl-dimethyl-ammonium CAS Name: 3-[4-amino-5,6-dimethyl-3-(2-methylpropyl)-7-pyrrolo[2,3-d]pyrimidin-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[4-amino-5,6-dimethyl-3-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]propyl-dimethylazanium Traditional Name: 3-(4-amino-3-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl)propyl-dimethyl-ammonium Formula: C17H31N5+2 MolecularWeight: 305.46154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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