2-[[5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCC[NH+](C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC[NH+](C)C)CC3=CC=CC=C3)C

InChI

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