1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C22H22N4O4S/c1-5-10-26-21(28)15-9-7-6-8-14(15)17(25-26)22(29)30-12(3)18-23-19(27)16-11(2)13(4)31-20(16)24-18/h6-9,12H,5,10H2,1-4H3,(H,23,24,27)