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

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-4-(4-azidophenyl)butan-1-one Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-4-(4-azidophenyl)butan-1-one CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-(4-azidophenyl)-1-butanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(4-azidophenyl)butan-1-one Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-4-(4-azidophenyl)butan-1-one Formula: C24H28N8O3 MolecularWeight: 476.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCC4=CC=C(C=C4)N=[N+]=[N-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCC4=CC=C(C=C4)N=[N+]=[N-])N)OC

InChI

InChI=1S/C24H28N8O3/c1-34-20-14-18-19(15-21(20)35-2)27-24(28-23(18)25)32-12-10-31(11-13-32)22(33)5-3-4-16-6-8-17(9-7-16)29-30-26/h6-9,14-15H,3-5,10-13H2,1-2H3,(H2,25,27,28)