3-hexyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-hexyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-hexyl-5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-hexyl-5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-hexyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-hexyl-5-p-cumenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCCCN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H26N2OS/c1-4-5-6-7-12-23-14-22-20-19(21(23)24)18(13-25-20)17-10-8-16(9-11-17)15(2)3/h8-11,13-15H,4-7,12H2,1-3H3