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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)C2=C(NC(=NC2=O)N3CCC4=CC=CC=C4C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)C2=C(NC(=NC2=O)N3CCC4=CC=CC=C4C3)N

InChI

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