4-[6,7-bis(fluoranyl)quinazolin-4-yl]-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[6,7-bis(fluoranyl)quinazolin-4-yl]-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-difluoroquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-difluoro-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-difluoroquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-difluoroquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C19H18F2N6S MolecularWeight: 400.448226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)F)F)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)F)F)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C19H18F2N6S/c20-15-8-14-17(9-16(15)21)24-12-25-18(14)26-4-6-27(7-5-26)19(28)23-11-13-2-1-3-22-10-13/h1-3,8-10,12H,4-7,11H2,(H,23,28)