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

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-dimethyl-azanium Openeye Name: 2-(4-amino-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-dimethyl-ammonium CAS Name: 2-(4-amino-5,6-dimethyl-7-phenyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl)ethyl-dimethylammonium IUPAC Name: 2-(4-amino-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-dimethylazanium Traditional Name: 2-(4-amino-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-dimethyl-ammonium Formula: C18H25N5+2 MolecularWeight: 311.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC[NH+](C)C)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC[NH+](C)C)N)C3=CC=CC=C3)C

InChI

InChI=1S/C18H23N5/c1-13-14(2)23(15-8-6-5-7-9-15)18-16(13)17(19)22(12-20-18)11-10-21(3)4/h5-9,12,19H,10-11H2,1-4H3/p+2