phenethyl 5-methyl-3-[1-(4-methyl-3-oxidanylidene-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-(4-methyl-3-oxidanylidene-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-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[1-(4-methyl-3-oxo-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-(4-methyl-3-oxo-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-4-methyl-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:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4C)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4C)C(=O)OCCC5=CC=CC=C5

InChI

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