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

Systemtic Name: 6-azanyl-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-N-(2,6-dimethylphenyl)-2-morpholino-4-oxo-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-N-(2,6-dimethylphenyl)-2-(4-morpholinyl)-4-oxo-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-4-oxo-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-N-(2,6-dimethylphenyl)-4-keto-2-morpholino-1H-pyrimidine-5-carbothioamide Formula: C17H21N5O2S MolecularWeight: 359.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)C2=C(NC(=NC2=O)N3CCOCC3)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)C2=C(NC(=NC2=O)N3CCOCC3)N

InChI

InChI=1S/C17H21N5O2S/c1-10-4-3-5-11(2)13(10)19-16(25)12-14(18)20-17(21-15(12)23)22-6-8-24-9-7-22/h3-5H,6-9H2,1-2H3,(H,19,25)(H3,18,20,21,23)