[4-(4-azanyl-5-iodanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-(4-azanyl-5-iodanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-(4-amino-5-iodo-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-morpholino-methanone CAS Name: [4-(4-amino-5-iodo-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-amino-5-iodo-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-(4-amino-5-iodo-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-morpholino-methanone Formula: C20H27IN6O4 MolecularWeight: 542.37065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCCN(CC3)C(=O)N4CCOCC4)I)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCCN(CC3)C(=O)N4CCOCC4)I)OC

InChI

InChI=1S/C20H27IN6O4/c1-29-14-12-13-15(16(21)17(14)30-2)18(22)24-19(23-13)25-4-3-5-26(7-6-25)20(28)27-8-10-31-11-9-27/h12H,3-11H2,1-2H3,(H2,22,23,24)