cyclohexyl 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: cyclohexyl 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: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C27H27N3O6S MolecularWeight: 521.58478

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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)OC5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O6S/c1-3-11-30-19-12-17(9-10-21(19)35-14-22(30)32)20(31)13-29-15-28-25-23(26(29)33)16(2)24(37-25)27(34)36-18-7-5-4-6-8-18/h3,9-10,12,15,18H,1,4-8,11,13-14H2,2H3