5-(4-bromophenyl)-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-3-(3-phenoxypropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O2S/c22-16-9-7-15(8-10-16)18-13-27-20-19(18)21(25)24(14-23-20)11-4-12-26-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12H2