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

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(1,2-dithiolan-3-yl)pentan-1-one Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(dithiolan-3-yl)pentan-1-one CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-(3-dithiolanyl)-1-pentanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(dithiolan-3-yl)pentan-1-one Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-(dithiolan-3-yl)pentan-1-one Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4CCSS4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4CCSS4)N)OC

InChI

InChI=1S/C22H31N5O3S2/c1-29-18-13-16-17(14-19(18)30-2)24-22(25-21(16)23)27-10-8-26(9-11-27)20(28)6-4-3-5-15-7-12-31-32-15/h13-15H,3-12H2,1-2H3,(H2,23,24,25)