3-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN2C=NC3=C(C2=O)C=CS3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN2C=NC3=C(C2=O)C=CS3)O

InChI

InChI=1S/C17H18N2O3S/c1-11-4-3-5-12(2)15(11)22-9-13(20)8-19-10-18-16-14(17(19)21)6-7-23-16/h3-7,10,13,20H,8-9H2,1-2H3