2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(4-ethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(4-ethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(4-ethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-ethylbenzyl)-N-methyl-acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H21N5OS/c1-3-11-4-6-12(7-5-11)9-21(2)15(22)10-23-16-19-13(17)8-14(18)20-16/h4-8H,3,9-10H2,1-2H3,(H4,17,18,19,20)