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

Systemtic Name: butyl 4-[[5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: butyl 4-[(3-benzyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate CAS Name: 4-[[[5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 4-[(3-benzyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid butyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S/c1-3-4-14-33-26(32)19-10-12-20(13-11-19)28-23(30)22-17(2)21-24(34-22)27-16-29(25(21)31)15-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,28,30)