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

Systemtic Name: 6-azanyl-N-(2,6-dimethylphenyl)-4-oxidanylidene-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-N-(2,6-dimethylphenyl)-4-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-N-(2,6-dimethylphenyl)-4-oxo-2-(1-pyrrolidinyl)-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-N-(2,6-dimethylphenyl)-4-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-N-(2,6-dimethylphenyl)-4-keto-2-pyrrolidino-1H-pyrimidine-5-carbothioamide Formula: C17H21N5OS MolecularWeight: 343.44654

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)N3CCCC3)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)C2=C(NC(=NC2=O)N3CCCC3)N

InChI

InChI=1S/C17H21N5OS/c1-10-6-5-7-11(2)13(10)19-16(24)12-14(18)20-17(21-15(12)23)22-8-3-4-9-22/h5-7H,3-4,8-9H2,1-2H3,(H,19,24)(H3,18,20,21,23)