2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(3-chlorophenyl)methyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(3-chlorophenyl)methyl]ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chlorobenzyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C13H14ClN5OS MolecularWeight: 323.80116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H14ClN5OS/c14-9-3-1-2-8(4-9)6-17-12(20)7-21-13-18-10(15)5-11(16)19-13/h1-5H,6-7H2,(H,17,20)(H4,15,16,18,19)