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

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 3-[2-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-allyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)OC5CCCCC5

InChI

InChI=1S/C28H29N3O6S/c1-4-12-30-20-13-18(10-11-21(20)36-14-22(30)32)24(33)17(3)31-15-29-26-23(27(31)34)16(2)25(38-26)28(35)37-19-8-6-5-7-9-19/h4,10-11,13,15,17,19H,1,5-9,12,14H2,2-3H3