3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H16ClN5OS MolecularWeight: 337.82774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N)Cl

InChI

InChI=1S/C14H16ClN5OS/c1-8-2-3-9(6-10(8)15)18-13(21)4-5-22-14-19-11(16)7-12(17)20-14/h2-3,6-7H,4-5H2,1H3,(H,18,21)(H4,16,17,19,20)