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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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