1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azidophenyl)pentan-1-one

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azidophenyl)pentan-1-one Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azidophenyl)pentan-1-one CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-(4-azidophenyl)-1-pentanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-azidophenyl)pentan-1-one Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-(4-azidophenyl)pentan-1-one Formula: C25H30N8O3 MolecularWeight: 490.5575

Click to see the large picture

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-])N)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N8O3/c1-35-21-15-19-20(16-22(21)36-2)28-25(29-24(19)26)33-13-11-32(12-14-33)23(34)6-4-3-5-17-7-9-18(10-8-17)30-31-27/h7-10,15-16H,3-6,11-14H2,1-2H3,(H2,26,28,29)