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

Systemtic Name: 2-[5,6-dimethyl-4-[(phenylmethyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(benzylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]ethyl-dimethyl-ammonium CAS Name: 2-[5,6-dimethyl-4-[(phenylmethyl)amino]-7-pyrrolo[2,3-d]pyrimidinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-(benzylamino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethyl-dimethylazanium Traditional Name: 2-[4-(benzylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]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)NCC3=CC=CC=C3)CC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC3=CC=CC=C3)CC[NH+](C)C)C

InChI

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