4-(6-fluoranylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-fluoranylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6-fluoroquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6-fluoro-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6-fluoroquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6-fluoroquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C19H19FN6S MolecularWeight: 382.457763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=C(C=C3)F)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=C(C=C3)F)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C19H19FN6S/c20-15-3-4-17-16(10-15)18(24-13-23-17)25-6-8-26(9-7-25)19(27)22-12-14-2-1-5-21-11-14/h1-5,10-11,13H,6-9,12H2,(H,22,27)