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

Systemtic Name: (phenylmethyl) 4-oxidanylidene-1-[1-oxidanylidene-1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)pentan-2-yl]azetidine-2-carboxylate Openeye Name: benzyl 4-oxo-1-[1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylcarbamoyl)butyl]azetidine-2-carboxylate CAS Name: 4-oxo-1-[1-oxo-1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)pentan-2-yl]-2-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxo-1-[1-oxo-1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylamino)pentan-2-yl]azetidine-2-carboxylate Traditional Name: 4-keto-1-[1-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethylcarbamoyl)butyl]azetidine-2-carboxylic acid benzyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1C2=NC=NC=C2C=N1)N3C(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC(C(=O)NCC1C2=NC=NC=C2C=N1)N3C(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O4/c1-2-6-18(22(30)26-12-17-21-16(11-25-17)10-24-14-27-21)28-19(9-20(28)29)23(31)32-13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17-19H,2,6,9,12-13H2,1H3,(H,26,30)