tert-butyl 4-(2-aminocarbonylpyrrolidin-1-yl)-6-[(2-methoxy-2-oxidanylidene-ethoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate

Systemtic Name: tert-butyl 4-(2-aminocarbonylpyrrolidin-1-yl)-6-[(2-methoxy-2-oxidanylidene-ethoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate Openeye Name: tert-butyl 4-(2-carbamoylpyrrolidin-1-yl)-6-[(2-methoxy-2-oxo-ethoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylate CAS Name: 4-(2-carbamoyl-1-pyrrolidinyl)-6-[(2-methoxy-2-oxoethoxy)methyl]-2-phenyl-7-pyrrolo[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-carbamoylpyrrolidin-1-yl)-6-[(2-methoxy-2-oxoethoxy)methyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-(2-carbamoylpyrrolidino)-6-[(2-keto-2-methoxy-ethoxy)methyl]-2-phenyl-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester Formula: C26H31N5O6 MolecularWeight: 509.55424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=C1N=C(N=C2N3CCCC3C(=O)N)C4=CC=CC=C4)COCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1N=C(N=C2N3CCCC3C(=O)N)C4=CC=CC=C4)COCC(=O)OC

InChI

InChI=1S/C26H31N5O6/c1-26(2,3)37-25(34)31-17(14-36-15-20(32)35-4)13-18-23(30-12-8-11-19(30)21(27)33)28-22(29-24(18)31)16-9-6-5-7-10-16/h5-7,9-10,13,19H,8,11-12,14-15H2,1-4H3,(H2,27,33)