3-butyl-2-(2-methoxyphenyl)-8-oxidanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butyl-2-(2-methoxyphenyl)-8-oxidanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-8-hydroxy-2-(2-methoxyphenyl)benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-8-hydroxy-2-(2-methoxyphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-butyl-8-hydroxy-2-(2-methoxyphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-8-hydroxy-2-(2-methoxyphenyl)benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C3=C(S2)C(=CC=C3)O)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C3=C(S2)C(=CC=C3)O)C4=CC=CC=C4OC

InChI

InChI=1S/C21H20N2O3S/c1-3-4-12-23-19(13-8-5-6-11-16(13)26-2)22-20-17(21(23)25)14-9-7-10-15(24)18(14)27-20/h5-11,24H,3-4,12H2,1-2H3