5-(4-bromophenyl)-6-ethyl-3-heptyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-3-heptyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-3-heptyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-3-heptyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-ethyl-3-heptylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-3-heptyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)CC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)CC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2OS/c1-3-5-6-7-8-13-24-14-23-20-19(21(24)25)18(17(4-2)26-20)15-9-11-16(22)12-10-15/h9-12,14H,3-8,13H2,1-2H3