4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(5-chloranyl-2-methoxy-phenyl)benzamide

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(5-chloranyl-2-methoxy-phenyl)benzamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]benzamide Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H18ClN5O2S/c1-27-15-7-6-13(20)8-14(15)23-18(26)12-4-2-11(3-5-12)10-28-19-24-16(21)9-17(22)25-19/h2-9H,10H2,1H3,(H,23,26)(H4,21,22,24,25)