(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C20H18N4O3S/c1-11-8-9-21-24(11)15-6-4-14(5-7-15)20(26)27-10-16-22-18(25)17-12(2)13(3)28-19(17)23-16/h4-9H,10H2,1-3H3,(H,22,23,25)