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

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(1,2-dithiolan-3-yl)ethanone Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(dithiolan-3-yl)ethanone CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-(3-dithiolanyl)ethanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(dithiolan-3-yl)ethanone Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-(dithiolan-3-yl)ethanone Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CC4CCSS4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CC4CCSS4)N)OC

InChI

InChI=1S/C19H25N5O3S2/c1-26-15-10-13-14(11-16(15)27-2)21-19(22-18(13)20)24-6-4-23(5-7-24)17(25)9-12-3-8-28-29-12/h10-12H,3-9H2,1-2H3,(H2,20,21,22)