1-methyl-5-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-methyl-5-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H26N7O3+ MolecularWeight: 388.44414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C18H25N7O3/c1-21-17-14(10-20-21)18(28)25(13-19-17)12-16(27)24-8-6-22(7-9-24)11-15(26)23-4-2-3-5-23/h10,13H,2-9,11-12H2,1H3/p+1