[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-azido-3-iodanyl-phenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-azido-3-iodanyl-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-azido-3-iodo-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(4-azido-3-iodophenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-azido-3-iodophenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(4-azido-3-iodo-phenyl)methanone Formula: C21H21IN8O3 MolecularWeight: 560.34771

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N=[N+]=[N-])I)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N=[N+]=[N-])I)N)OC

InChI

InChI=1S/C21H21IN8O3/c1-32-17-10-13-16(11-18(17)33-2)25-21(26-19(13)23)30-7-5-29(6-8-30)20(31)12-3-4-15(27-28-24)14(22)9-12/h3-4,9-11H,5-8H2,1-2H3,(H2,23,25,26)