5,6-dimethyl-2-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C)O

InChI

InChI=1S/C21H24N2O3S2/c1-5-9-23-20(25)18-14(3)15(4)28-19(18)22-21(23)27-12-16(24)11-26-17-8-6-7-13(2)10-17/h5-8,10,16,24H,1,9,11-12H2,2-4H3/t16-/m1/s1