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

Systemtic Name: phenethyl 5-methyl-3-[1-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[1-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)-1-methyl-ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)OCCC5=CC=CC=C5)C

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)OCCC5=CC=CC=C5)C

InChI

InChI=1S/C28H25N3O6S/c1-15-22-26(38-24(15)28(35)36-12-11-18-7-5-4-6-8-18)29-14-31(27(22)34)16(2)23(32)19-9-10-21-20(13-19)30-25(33)17(3)37-21/h4-10,13-14,16-17H,11-12H2,1-3H3,(H,30,33)