4-(5-chloranylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride

Systemtic Name: 4-(5-chloranylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Openeye Name: 4-(5-chloroquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride CAS Name: 4-(5-chloro-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide dihydrochloride IUPAC Name: 4-(5-chloroquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Traditional Name: 4-(5-chloroquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride Formula: C19H21Cl3N6S MolecularWeight: 471.83424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6S.2ClH/c20-15-4-1-5-16-17(15)18(24-13-23-16)25-7-9-26(10-8-25)19(27)22-12-14-3-2-6-21-11-14;;/h1-6,11,13H,7-10,12H2,(H,22,27);2*1H