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

Systemtic Name: 1,3-dimethyl-6-prop-2-enyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-1,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1,3-dimethyl-6-prop-2-enyl-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 1,3-dimethyl-6-prop-2-enyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-1,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[4,3-d]pyrimidin-7-one Formula: C19H24N7O+ MolecularWeight: 366.44016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O/c1-4-9-26-18(27)17-16(14(2)22-23(17)3)21-19(26)25-12-10-24(11-13-25)15-7-5-6-8-20-15/h4-8H,1,9-13H2,2-3H3/p+1