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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-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 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

InChI

InChI=1S/C26H22N4O4S/c1-14-16(3)35-24-20(14)23(31)27-22(28-24)15(2)34-26(33)21-18-11-7-8-12-19(18)25(32)30(29-21)13-17-9-5-4-6-10-17/h4-12,15H,13H2,1-3H3,(H,27,28,31)