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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(1,2-dithiolan-3-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(dithiolan-3-yl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3-dithiolanyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(dithiolan-3-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(dithiolan-3-yl)methanone Formula: C18H23N5O3S2 MolecularWeight: 421.53692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCSS4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCSS4)N)OC

InChI

InChI=1S/C18H23N5O3S2/c1-25-13-9-11-12(10-14(13)26-2)20-18(21-16(11)19)23-6-4-22(5-7-23)17(24)15-3-8-27-28-15/h9-10,15H,3-8H2,1-2H3,(H2,19,20,21)