1-methyl-5-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-piperidin-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-piperidin-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-(1-piperidyl)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-piperidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[2-oxo-2-[4-(2-oxo-2-piperidin-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-piperidino-ethyl)piperazin-4-ium-1-yl]ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H28N7O3+ MolecularWeight: 402.47072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C19H27N7O3/c1-22-18-15(11-21-22)19(29)26(14-20-18)13-17(28)25-9-7-23(8-10-25)12-16(27)24-5-3-2-4-6-24/h11,14H,2-10,12-13H2,1H3/p+1