6-azanyl-N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide

Systemtic Name: 6-azanyl-N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-1H-pyrimidine-5-carbothioamide Formula: C20H18ClN5OS MolecularWeight: 411.90782

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5OS/c21-14-5-7-15(8-6-14)23-19(28)16-17(22)24-20(25-18(16)27)26-10-9-12-3-1-2-4-13(12)11-26/h1-8H,9-11H2,(H,23,28)(H3,22,24,25,27)