3-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(COC3=CC=C(C=C3)C(C)(C)C)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C[C@@H](COC3=CC=C(C=C3)C(C)(C)C)O)C

InChI

InChI=1S/C21H26N2O3S/c1-13-14(2)27-19-18(13)20(25)23(12-22-19)10-16(24)11-26-17-8-6-15(7-9-17)21(3,4)5/h6-9,12,16,24H,10-11H2,1-5H3/t16-/m0/s1