4-(6,7-dimethoxyquinazolin-4-yl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4CCCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4CCCO4)OC

InChI

InChI=1S/C20H27N5O3S/c1-26-17-10-15-16(11-18(17)27-2)22-13-23-19(15)24-5-7-25(8-6-24)20(29)21-12-14-4-3-9-28-14/h10-11,13-14H,3-9,12H2,1-2H3,(H,21,29)