(phenylmethyl) 4-oxidanylidene-1-[1-oxidanylidene-3-phenyl-1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)propan-2-yl]azetidine-2-carboxylate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-1-[1-oxidanylidene-3-phenyl-1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)propan-2-yl]azetidine-2-carboxylate Openeye Name: benzyl 1-[1-benzyl-2-oxo-2-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)ethyl]-4-oxo-azetidine-2-carboxylate CAS Name: 4-oxo-1-[1-oxo-3-phenyl-1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)propan-2-yl]-2-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxo-1-[1-oxo-3-phenyl-1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)propan-2-yl]azetidine-2-carboxylate Traditional Name: 1-[1-benzyl-2-keto-2-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)ethyl]-4-keto-azetidine-2-carboxylic acid benzyl ester Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)C(CC2=CC=CC=C2)C(=O)NCC3C4=NC=NC=C4C=N3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C(N(C1=O)C(CC2=CC=CC=C2)C(=O)NCC3C4=NC=NC=C4C=N3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O4/c33-24-12-23(27(35)36-16-19-9-5-2-6-10-19)32(24)22(11-18-7-3-1-4-8-18)26(34)30-15-21-25-20(14-29-21)13-28-17-31-25/h1-10,13-14,17,21-23H,11-12,15-16H2,(H,30,34)