N-[3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-quinazolin-6-yl]-2-pyrimidin-2-yl-ethanethioamide

Systemtic Name: N-[3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-quinazolin-6-yl]-2-pyrimidin-2-yl-ethanethioamide Openeye Name: N-[3-[(3,4-dichlorophenyl)methyl]-4-oxo-quinazolin-6-yl]-2-pyrimidin-2-yl-thioacetamide CAS Name: N-[3-[(3,4-dichlorophenyl)methyl]-4-oxo-6-quinazolinyl]-2-(2-pyrimidinyl)ethanethioamide IUPAC Name: N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-pyrimidin-2-ylethanethioamide Traditional Name: N-[3-(3,4-dichlorobenzyl)-4-keto-quinazolin-6-yl]-2-(2-pyrimidyl)thioacetamide Formula: C21H15Cl2N5OS MolecularWeight: 456.3477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)CC(=S)NC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CN=C(N=C1)CC(=S)NC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N5OS/c22-16-4-2-13(8-17(16)23)11-28-12-26-18-5-3-14(9-15(18)21(28)29)27-20(30)10-19-24-6-1-7-25-19/h1-9,12H,10-11H2,(H,27,30)