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

Systemtic Name: 3-(5,6-dimethyl-4-phenylazanyl-pyrrolo[2,3-d]pyrimidin-7-yl)propyl-dimethyl-azanium Openeye Name: 3-(4-anilino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)propyl-dimethyl-ammonium CAS Name: 3-(4-anilino-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl)propyl-dimethylammonium IUPAC Name: 3-(4-anilino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)propyl-dimethylazanium Traditional Name: 3-(4-anilino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)propyl-dimethyl-ammonium Formula: C19H26N5+ MolecularWeight: 324.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=CC=C3)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=CC=C3)CCC[NH+](C)C)C

InChI

InChI=1S/C19H25N5/c1-14-15(2)24(12-8-11-23(3)4)19-17(14)18(20-13-21-19)22-16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,21,22)/p+1