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

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-(4-azidophenyl)hexan-1-one Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-(4-azidophenyl)hexan-1-one CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-6-(4-azidophenyl)-1-hexanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-(4-azidophenyl)hexan-1-one Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-6-(4-azidophenyl)hexan-1-one Formula: C26H32N8O3 MolecularWeight: 504.58408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCCC4=CC=C(C=C4)N=[N+]=[N-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCCC4=CC=C(C=C4)N=[N+]=[N-])N)OC

InChI

InChI=1S/C26H32N8O3/c1-36-22-16-20-21(17-23(22)37-2)29-26(30-25(20)27)34-14-12-33(13-15-34)24(35)7-5-3-4-6-18-8-10-19(11-9-18)31-32-28/h8-11,16-17H,3-7,12-15H2,1-2H3,(H2,27,29,30)