7-methoxycarbonyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 7-methoxycarbonyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)[O-]

InChI

InChI=1S/C19H20N6O3/c1-28-18(27)13-3-4-14-15(11-13)22-16(23-17(14)26)12-24-7-9-25(10-8-24)19-20-5-2-6-21-19/h2-6,11H,7-10,12H2,1H3,(H,22,23,26)