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

Systemtic Name: 6-azanyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-N-phenyl-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-N-phenyl-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-N-phenyl-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-N-phenyl-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-N-phenyl-1H-pyrimidine-5-carbothioamide Formula: C20H19N5OS MolecularWeight: 377.46276

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5OS/c21-17-16(19(27)22-15-8-2-1-3-9-15)18(26)24-20(23-17)25-11-10-13-6-4-5-7-14(13)12-25/h1-9H,10-12H2,(H,22,27)(H3,21,23,24,26)