2-(2-bromanyl-3,4,5-trimethoxy-phenyl)-8-oxidanyl-3-propan-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(2-bromanyl-3,4,5-trimethoxy-phenyl)-8-oxidanyl-3-propan-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(2-bromo-3,4,5-trimethoxy-phenyl)-8-hydroxy-3-isopropyl-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(2-bromo-3,4,5-trimethoxyphenyl)-8-hydroxy-3-propan-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(2-bromo-3,4,5-trimethoxyphenyl)-8-hydroxy-3-propan-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(2-bromo-3,4,5-trimethoxy-phenyl)-8-hydroxy-3-isopropyl-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H21BrN2O5S MolecularWeight: 505.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C(C1=O)C3=C(S2)C(=CC=C3)O)C4=CC(=C(C(=C4Br)OC)OC)OC

Isomeric SMILES

CC(C)N1C(=NC2=C(C1=O)C3=C(S2)C(=CC=C3)O)C4=CC(=C(C(=C4Br)OC)OC)OC

InChI

InChI=1S/C22H21BrN2O5S/c1-10(2)25-20(12-9-14(28-3)17(29-4)18(30-5)16(12)23)24-21-15(22(25)27)11-7-6-8-13(26)19(11)31-21/h6-10,26H,1-5H3