4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholinoethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[2-(4-morpholinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholinoethyl)piperazine-1-carbothioamide Formula: C21H30N6O3S MolecularWeight: 446.5663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCN4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCN4CCOCC4)OC

InChI

InChI=1S/C21H30N6O3S/c1-28-18-13-16-17(14-19(18)29-2)23-15-24-20(16)26-5-7-27(8-6-26)21(31)22-3-4-25-9-11-30-12-10-25/h13-15H,3-12H2,1-2H3,(H,22,31)