N-[5-azanyl-4-chloranyl-6-(phenylmethylsulfanyl)pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-azanyl-4-chloranyl-6-(phenylmethylsulfanyl)pyrimidin-2-yl]ethanamide Openeye Name: N-(5-amino-4-benzylsulfanyl-6-chloro-pyrimidin-2-yl)acetamide CAS Name: N-[5-amino-4-chloro-6-(phenylmethylthio)-2-pyrimidinyl]acetamide IUPAC Name: N-(5-amino-4-benzylsulfanyl-6-chloropyrimidin-2-yl)acetamide Traditional Name: N-[5-amino-4-(benzylthio)-6-chloro-pyrimidin-2-yl]acetamide Formula: C13H13ClN4OS MolecularWeight: 308.78652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(C(=N1)Cl)N)SCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NC(=C(C(=N1)Cl)N)SCC2=CC=CC=C2

InChI

InChI=1S/C13H13ClN4OS/c1-8(19)16-13-17-11(14)10(15)12(18-13)20-7-9-5-3-2-4-6-9/h2-6H,7,15H2,1H3,(H,16,17,18,19)