N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide Openeye Name: 2-[6-(benzylamino)purin-9-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-[6-[(phenylmethyl)amino]-9-purinyl]acetamide IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide Traditional Name: 2-[6-(benzylamino)purin-9-yl]-N-[3-(2-ketopyrrolidino)propyl]acetamide Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

InChI

InChI=1S/C21H25N7O2/c29-17(22-9-5-11-27-10-4-8-18(27)30)13-28-15-26-19-20(24-14-25-21(19)28)23-12-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,29)(H,23,24,25)