2-(3-bromanyl-4,5-dimethoxy-phenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3-bromanyl-4,5-dimethoxy-phenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(3-bromo-4,5-dimethoxy-phenyl)-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(3-bromo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3-bromo-4,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(3-bromo-4,5-dimethoxy-phenyl)-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2)Br)OC

InChI

InChI=1S/C18H19BrN2O3S/c1-23-12-8-9(7-11(19)15(12)24-2)16-20-17(22)14-10-5-3-4-6-13(10)25-18(14)21-16/h7-8,16,21H,3-6H2,1-2H3,(H,20,22)