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

Systemtic Name: 3-[(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-7-phenethyl-4-pyrrolo[2,3-d]pyrimidinyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-7-phenethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethyl-ammonium Formula: C21H30N5+ MolecularWeight: 352.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N5/c1-16-17(2)26(14-11-18-9-6-5-7-10-18)21-19(16)20(23-15-24-21)22-12-8-13-25(3)4/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,23,24)/p+1