4-(6,7-dimethoxyquinazolin-4-yl)-N-prop-2-ynyl-piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-prop-2-ynyl-piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-prop-2-ynyl-piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-prop-2-ynyl-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-prop-2-ynylpiperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-propargyl-piperazine-1-carbothioamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-4-5-19-18(26)23-8-6-22(7-9-23)17-13-10-15(24-2)16(25-3)11-14(13)20-12-21-17/h1,10-12H,5-9H2,2-3H3,(H,19,26)