6-ethyl-1,3-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 6-ethyl-1,3-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 6-ethyl-1,3-dimethyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C20H27N6O+ MolecularWeight: 367.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=NN2C)C)N=C1N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(C(=NN2C)C)N=C1N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O/c1-4-26-19(27)18-17(15(2)22-23(18)3)21-20(26)25-12-10-24(11-13-25)14-16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3/p+1