methyl 2-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(5-bromo-2-pyridyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(5-bromopyridin-2-yl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(5-bromo-2-pyridyl)piperazino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H20BrN5O3 MolecularWeight: 458.3085

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=NC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=NC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O3/c1-29-20(28)13-2-4-15-16(10-13)23-17(24-19(15)27)12-25-6-8-26(9-7-25)18-5-3-14(21)11-22-18/h2-5,10-11H,6-9,12H2,1H3,(H,23,24,27)