5-(3,4-dimethylphenyl)-3-[(2S)-2-oxidanyl-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethylphenyl)-3-[(2S)-2-oxidanyl-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-3-phenoxypropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(COC4=CC=CC=C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C[C@@H](COC4=CC=CC=C4)O)C

InChI

InChI=1S/C23H22N2O3S/c1-15-8-9-17(10-16(15)2)20-13-29-22-21(20)23(27)25(14-24-22)11-18(26)12-28-19-6-4-3-5-7-19/h3-10,13-14,18,26H,11-12H2,1-2H3/t18-/m0/s1