2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C16H26N7O+ MolecularWeight: 332.42394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H25N7O/c1-12(2)20-14(24)10-22-5-4-6-23(8-7-22)16-13-9-19-21(3)15(13)17-11-18-16/h9,11-12H,4-8,10H2,1-3H3,(H,20,24)/p+1