4-[(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide Openeye Name: 4-[(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide CAS Name: 4-[[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-N-(2-hydroxyethyl)benzamide IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide Traditional Name: 4-[[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-N-(2-hydroxyethyl)benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)NCCO)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)NCCO)CC=C)C

InChI

InChI=1S/C21H23N3O3S2/c1-4-10-24-20(27)17-13(2)14(3)29-19(17)23-21(24)28-12-15-5-7-16(8-6-15)18(26)22-9-11-25/h4-8,25H,1,9-12H2,2-3H3,(H,22,26)