5,6-dimethyl-2-(3-phenoxypropylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(3-phenoxypropylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(3-phenoxypropylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-(3-phenoxypropylthio)-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-(3-phenoxypropylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-(3-phenoxypropylthio)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCOC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCOC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N2O2S2/c1-16-17(2)29-21-20(16)22(26)25(18-10-5-3-6-11-18)23(24-21)28-15-9-14-27-19-12-7-4-8-13-19/h3-8,10-13H,9,14-15H2,1-2H3