2-[2-methyl-7-oxidanylidene-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]ethanamide

Systemtic Name: 2-[2-methyl-7-oxidanylidene-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]ethanamide Openeye Name: 2-[2-methyl-7-oxo-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide CAS Name: 2-[2-methyl-7-oxo-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide IUPAC Name: 2-[2-methyl-7-oxo-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide Traditional Name: 2-[7-keto-2-methyl-5-(2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-2-ium-2-yl]acetamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=N[N+](C=C3N2)(C)CC(=O)N

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=N[N+](C=C3N2)(C)CC(=O)N

InChI

InChI=1S/C17H19N5O3/c1-3-8-25-13-7-5-4-6-11(13)16-19-12-9-22(2,10-14(18)23)21-15(12)17(24)20-16/h4-7,9H,3,8,10H2,1-2H3,(H2-,18,19,20,23,24)/p+1