2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C14H16ClN5O2S MolecularWeight: 353.82714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16ClN5O2S/c1-7-3-9(10(22-2)4-8(7)15)18-13(21)6-23-14-19-11(16)5-12(17)20-14/h3-5H,6H2,1-2H3,(H,18,21)(H4,16,17,19,20)