6,8-bis(bromanyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C17H17Br2N6O+ MolecularWeight: 481.16448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C4=NC=CC=N4

InChI

InChI=1S/C17H16Br2N6O/c18-11-8-12-15(13(19)9-11)22-14(23-16(12)26)10-24-4-6-25(7-5-24)17-20-2-1-3-21-17/h1-3,8-9H,4-7,10H2,(H,22,23,26)/p+1