1,3-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1,3-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1,3-dimethyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-propan-2-yl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C(C)C)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C(C)C)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H28N6O/c1-15(2)27-20(28)19-18(16(3)23-24(19)4)22-21(27)26-12-10-25(11-13-26)14-17-8-6-5-7-9-17/h5-9,15H,10-14H2,1-4H3/p+1