2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2-phenoxy-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2-phenoxy-phenyl)ethanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H16ClN5O2S/c19-11-6-7-14(26-12-4-2-1-3-5-12)13(8-11)22-17(25)10-27-18-23-15(20)9-16(21)24-18/h1-9H,10H2,(H,22,25)(H4,20,21,23,24)