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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C13H14ClN5O2S MolecularWeight: 339.80056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)Cl

InChI

InChI=1S/C13H14ClN5O2S/c1-21-9-3-2-7(4-8(9)14)17-12(20)6-22-13-18-10(15)5-11(16)19-13/h2-5H,6H2,1H3,(H,17,20)(H4,15,16,18,19)