4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-N-(2,6-dimethylphenyl)benzamide IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-N-(2,6-dimethylphenyl)benzamide Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H21N5OS/c1-12-4-3-5-13(2)18(12)25-19(26)15-8-6-14(7-9-15)11-27-20-23-16(21)10-17(22)24-20/h3-10H,11H2,1-2H3,(H,25,26)(H4,21,22,23,24)