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

Systemtic Name: 6-azanyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(m-tolyl)-4-oxo-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)-4-oxo-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)-4-oxo-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-N-(m-tolyl)-1H-pyrimidine-5-carbothioamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-13-5-4-8-16(11-13)23-20(28)17-18(22)24-21(25-19(17)27)26-10-9-14-6-2-3-7-15(14)12-26/h2-8,11H,9-10,12H2,1H3,(H,23,28)(H3,22,24,25,27)