6-azanyl-N-[3,5-bis(chloranyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide

Systemtic Name: 6-azanyl-N-[3,5-bis(chloranyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-N-(3,5-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-N-(3,5-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-N-(3,5-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-N-(3,5-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-1H-pyrimidine-5-carbothioamide Formula: C20H17Cl2N5OS MolecularWeight: 446.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=O)C(=C(N3)N)C(=S)NC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=O)C(=C(N3)N)C(=S)NC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C20H17Cl2N5OS/c21-13-7-14(22)9-15(8-13)24-19(29)16-17(23)25-20(26-18(16)28)27-6-5-11-3-1-2-4-12(11)10-27/h1-4,7-9H,5-6,10H2,(H,24,29)(H3,23,25,26,28)