4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-oxidanylideneoxolan-3-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-oxidanylideneoxolan-3-yl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-oxotetrahydrofuran-3-yl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(2-oxo-3-oxolanyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-oxooxolan-3-yl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-ketotetrahydrofuran-3-yl)piperazine-1-carbothioamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4CCOC4=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4CCOC4=O)OC

InChI

InChI=1S/C19H23N5O4S/c1-26-15-9-12-14(10-16(15)27-2)20-11-21-17(12)23-4-6-24(7-5-23)19(29)22-13-3-8-28-18(13)25/h9-11,13H,3-8H2,1-2H3,(H,22,29)