N-[4-[(4S)-5-cyclopropyl-6-phenyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(4S)-5-cyclopropyl-6-phenyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-yl]phenyl]ethanamide Openeye Name: N-[4-[(4S)-5-cyclopropyl-1-isopropyl-6-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-yl]phenyl]acetamide CAS Name: N-[4-[(4S)-5-cyclopropyl-6-phenyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-yl]phenyl]acetamide IUPAC Name: N-[4-[(4S)-5-cyclopropyl-6-phenyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-yl]phenyl]acetamide Traditional Name: N-[4-[(4S)-5-cyclopropyl-1-isopropyl-6-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-yl]phenyl]acetamide Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC(=[N+](C(C2=CN1)C3=CC=C(C=C3)NC(=O)C)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C2=NC(=[N+]([C@H](C2=CN1)C3=CC=C(C=C3)NC(=O)C)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c1-16(2)30-25-22(15-26-30)23(18-9-11-20(12-10-18)27-17(3)31)29(21-13-14-21)24(28-25)19-7-5-4-6-8-19/h4-12,15-16,21,23H,13-14H2,1-3H3,(H,27,31)/p+1/t23-/m0/s1