2-methylpropyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-[2-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-allyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)OCC(C)C

InChI

InChI=1S/C25H25N3O6S/c1-5-8-28-17-9-16(6-7-19(17)33-12-20(28)30)18(29)10-27-13-26-23-21(24(27)31)15(4)22(35-23)25(32)34-11-14(2)3/h5-7,9,13-14H,1,8,10-12H2,2-4H3