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

Systemtic Name: phenethyl 3-[1-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(4-ethyl-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: 3-[1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-ethyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C29H27N3O6S MolecularWeight: 545.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)OCCC5=CC=CC=C5)C

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)OCCC5=CC=CC=C5)C

InChI

InChI=1S/C29H27N3O6S/c1-4-31-21-14-20(10-11-22(21)38-15-23(31)33)25(34)18(3)32-16-30-27-24(28(32)35)17(2)26(39-27)29(36)37-13-12-19-8-6-5-7-9-19/h5-11,14,16,18H,4,12-13,15H2,1-3H3