1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodanyl-phenyl)pentan-1-one

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodanyl-phenyl)pentan-1-one Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodo-phenyl)pentan-1-one CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-(4-azido-3-iodophenyl)-1-pentanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodophenyl)pentan-1-one Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-(4-azido-3-iodo-phenyl)pentan-1-one Formula: C25H29IN8O3 MolecularWeight: 616.45403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC(=C(C=C4)N=[N+]=[N-])I)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC(=C(C=C4)N=[N+]=[N-])I)N)OC

InChI

InChI=1S/C25H29IN8O3/c1-36-21-14-17-20(15-22(21)37-2)29-25(30-24(17)27)34-11-9-33(10-12-34)23(35)6-4-3-5-16-7-8-19(31-32-28)18(26)13-16/h7-8,13-15H,3-6,9-12H2,1-2H3,(H2,27,29,30)