2-methylpropyl 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: 2-methylpropyl 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: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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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)OCC(C)C

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)OCC(C)C

InChI

InChI=1S/C26H27N3O6S/c1-6-9-28-18-10-17(7-8-19(18)34-12-20(28)30)22(31)16(5)29-13-27-24-21(25(29)32)15(4)23(36-24)26(33)35-11-14(2)3/h6-8,10,13-14,16H,1,9,11-12H2,2-5H3