ethyl 5-methyl-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyloxymethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyloxymethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)oxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethoxy]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(3-methyl-4-oxophthalazine-1-carbonyl)oxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[(4-keto-3-methyl-phthalazine-1-carbonyl)oxymethyl]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C21H18N4O6S/c1-4-30-21(29)16-10(2)14-17(26)22-13(23-18(14)32-16)9-31-20(28)15-11-7-5-6-8-12(11)19(27)25(3)24-15/h5-8H,4,9H2,1-3H3,(H,22,23,26)