N-(3-methyl-1,2-oxazol-5-yl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methyl-1,2-oxazol-5-yl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylisoxazol-5-yl)acetamide CAS Name: N-(3-methyl-5-isoxazolyl)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methyl-1,2-oxazol-5-yl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-methylisoxazol-5-yl)acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CC1=NOC(=C1)NC(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C21H18N4O3S2/c1-3-9-25-20(27)15-11-16(14-7-5-4-6-8-14)30-19(15)23-21(25)29-12-17(26)22-18-10-13(2)24-28-18/h3-8,10-11H,1,9,12H2,2H3,(H,22,26)