2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2,6-bis(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2,6-bis(phenylmethoxycarbonylamino)hexanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2,6-bis(benzyloxycarbonylamino)hexanoate CAS Name: 2,6-bis(phenylmethoxycarbonylamino)hexanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2,6-bis(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2,6-bis(benzyloxycarbonylamino)hexanoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C30H35N7O8 MolecularWeight: 621.641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H35N7O8/c31-28-35-25-24(26(38)36-28)33-19-37(25)20-42-15-16-43-27(39)23(34-30(41)45-18-22-11-5-2-6-12-22)13-7-8-14-32-29(40)44-17-21-9-3-1-4-10-21/h1-6,9-12,19,23H,7-8,13-18,20H2,(H,32,40)(H,34,41)(H3,31,35,36,38)