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

Systemtic Name: 5-(4-methylphenyl)-3-[(2S)-2-oxidanyl-3-phenoxy-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2S)-2-hydroxy-3-phenoxy-propyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(2S)-2-hydroxy-3-phenoxy-propyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-15-7-9-16(10-8-15)19-13-28-21-20(19)22(26)24(14-23-21)11-17(25)12-27-18-5-3-2-4-6-18/h2-10,13-14,17,25H,11-12H2,1H3/t17-/m0/s1