N-methyl-4-oxidanylidene-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phthalazine-1-carboxamide Formula: C19H22N7O2+ MolecularWeight: 380.42368

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N7O2/c1-20-17(27)16-14-5-2-3-6-15(14)18(28)26(23-16)13-24-9-11-25(12-10-24)19-21-7-4-8-22-19/h2-8H,9-13H2,1H3,(H,20,27)/p+1