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

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

Click to see the large picture

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)N4)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)N4)C(=O)OCCC5=CC=CC=C5

InChI

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