[3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 2-methylfuran-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 2-methylfuran-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [3-(cyanomethyl)-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C21H15N3O4S/c1-13-15(7-10-27-13)21(26)28-11-17-23-19-18(20(25)24(17)9-8-22)16(12-29-19)14-5-3-2-4-6-14/h2-7,10,12H,9,11H2,1H3