3-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCN3C4=CC=CC=C4OC3=O)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCN3C4=CC=CC=C4OC3=O)C5CCCC5)C

InChI

InChI=1S/C22H23N3O3S2/c1-13-14(2)30-19-18(13)20(26)25(15-7-3-4-8-15)21(23-19)29-12-11-24-16-9-5-6-10-17(16)28-22(24)27/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3