4-(6-azanyl-7-chloranyl-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-azanyl-7-chloranyl-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6-amino-7-chloro-quinazolin-4-yl)-N-benzyl-piperazine-1-carbothioamide CAS Name: 4-(6-amino-7-chloro-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6-amino-7-chloroquinazolin-4-yl)-N-benzylpiperazine-1-carbothioamide Traditional Name: 4-(6-amino-7-chloro-quinazolin-4-yl)-N-benzyl-piperazine-1-carbothioamide Formula: C20H21ClN6S MolecularWeight: 412.93894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)N)Cl)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)N)Cl)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN6S/c21-16-11-18-15(10-17(16)22)19(25-13-24-18)26-6-8-27(9-7-26)20(28)23-12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12,22H2,(H,23,28)