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

Systemtic Name: 3-[[5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethyl-ammonium Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5/c1-15-16(2)25(13-17-9-6-5-7-10-17)20-18(15)19(22-14-23-20)21-11-8-12-24(3)4/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,21,22,23)/p+1