butyl 4-[(5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate CAS Name: 4-[[(5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid butyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O4S/c1-3-4-16-34-27(33)20-10-12-21(13-11-20)29-24(31)23-18(2)22-25(35-23)28-17-30(26(22)32)15-14-19-8-6-5-7-9-19/h5-13,17H,3-4,14-16H2,1-2H3,(H,29,31)