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

Systemtic Name: 3-[[5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[5,6-dimethyl-7-(2-methylpropyl)-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(7-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl-dimethyl-ammonium Formula: C17H30N5+ MolecularWeight: 304.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5/c1-12(2)10-22-14(4)13(3)15-16(19-11-20-17(15)22)18-8-7-9-21(5)6/h11-12H,7-10H2,1-6H3,(H,18,19,20)/p+1