1,3,6-trimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1,3,6-trimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1,3,6-trimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1,3,6-trimethyl-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 1,3,6-trimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1,3,6-trimethyl-5-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[4,3-d]pyrimidin-7-one Formula: C17H22N7O+ MolecularWeight: 340.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C17H21N7O/c1-12-14-15(22(3)20-12)16(25)21(2)17(19-14)24-10-8-23(9-11-24)13-6-4-5-7-18-13/h4-7H,8-11H2,1-3H3/p+1