2-[[7-bromanyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[7-bromanyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanamide Openeye Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide CAS Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]acetamide IUPAC Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide Traditional Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)SCC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)SCC(=O)N

InChI

InChI=1S/C20H16BrN3O3S/c1-26-14-5-2-11(3-6-14)18-23-19-15(20(24-18)28-10-17(22)25)9-12-8-13(21)4-7-16(12)27-19/h2-8H,9-10H2,1H3,(H2,22,25)