(phenylmethyl) N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]carbamate Openeye Name: benzyl N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]carbamate CAS Name: N-[4-[[9-ethyl-2-(2-hydroxyethylamino)-6-purinyl]amino]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]carbamate Traditional Name: N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]carbamic acid benzyl ester Formula: C23H25N7O3 MolecularWeight: 447.4897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NC(=O)OCC4=CC=CC=C4)NCCO

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NC(=O)OCC4=CC=CC=C4)NCCO

InChI

InChI=1S/C23H25N7O3/c1-2-30-15-25-19-20(28-22(24-12-13-31)29-21(19)30)26-17-8-10-18(11-9-17)27-23(32)33-14-16-6-4-3-5-7-16/h3-11,15,31H,2,12-14H2,1H3,(H,27,32)(H2,24,26,28,29)