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

Systemtic Name: phenethyl 5-methyl-3-[2-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[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-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxoethyl]-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)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H23N3O6S MolecularWeight: 517.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CN3C=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)CN3C=NC4=C(C3=O)C(=C(S4)C(=O)OCCC5=CC=CC=C5)C

InChI

InChI=1S/C27H23N3O6S/c1-15-22-25(37-23(15)27(34)35-11-10-17-6-4-3-5-7-17)28-14-30(26(22)33)13-20(31)18-8-9-21-19(12-18)29-24(32)16(2)36-21/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,29,32)