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

Systemtic Name: 6-azanyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-4-oxo-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-4-oxo-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-4-oxo-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-4-keto-1H-pyrimidine-5-carbothioamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)C2=C(NC(=NC2=O)N3CCC4=CC=CC=C4C3)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)C2=C(NC(=NC2=O)N3CCC4=CC=CC=C4C3)N

InChI

InChI=1S/C22H23N5OS/c1-13-6-5-7-14(2)18(13)24-21(29)17-19(23)25-22(26-20(17)28)27-11-10-15-8-3-4-9-16(15)12-27/h3-9H,10-12H2,1-2H3,(H,24,29)(H3,23,25,26,28)