tert-butyl N-[1-[2-(2-azanyl-6-phenylmethoxy-purin-9-yl)ethanoyl]-4-(phenylmethoxymethyl)pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(2-azanyl-6-phenylmethoxy-purin-9-yl)ethanoyl]-4-(phenylmethoxymethyl)pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(2-amino-6-benzyloxy-purin-9-yl)acetyl]-4-(benzyloxymethyl)pyrrolidin-3-yl]carbamate CAS Name: N-[1-[2-(2-amino-6-phenylmethoxy-9-purinyl)-1-oxoethyl]-4-(phenylmethoxymethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(2-amino-6-phenylmethoxypurin-9-yl)acetyl]-4-(phenylmethoxymethyl)pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[2-(2-amino-6-benzoxy-purin-9-yl)acetyl]-4-(benzoxymethyl)pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C31H37N7O5 MolecularWeight: 587.66938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(CC1COCC2=CC=CC=C2)C(=O)CN3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(CC1COCC2=CC=CC=C2)C(=O)CN3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N

InChI

InChI=1S/C31H37N7O5/c1-31(2,3)43-30(40)34-24-15-37(14-23(24)19-41-17-21-10-6-4-7-11-21)25(39)16-38-20-33-26-27(38)35-29(32)36-28(26)42-18-22-12-8-5-9-13-22/h4-13,20,23-24H,14-19H2,1-3H3,(H,34,40)(H2,32,35,36)