N-(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-keto-4,5-dimethyl-2H-furo[3,4-d]pyridazin-7-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22N7O3+ MolecularWeight: 384.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C18H21N7O3/c1-11-14-12(2)28-17(15(14)16(27)23-22-11)21-13(26)10-24-6-8-25(9-7-24)18-19-4-3-5-20-18/h3-5H,6-10H2,1-2H3,(H,21,26)(H,23,27)/p+1