2-[2-(2-adamantylamino)-2-oxidanylidene-ethoxy]-3-azanyl-5-chloranyl-4-oxidanyl-4-[(phenylmethyl)amino]-3-purin-9-yl-oxolane-2-carboxylic acid

Systemtic Name: 2-[2-(2-adamantylamino)-2-oxidanylidene-ethoxy]-3-azanyl-5-chloranyl-4-oxidanyl-4-[(phenylmethyl)amino]-3-purin-9-yl-oxolane-2-carboxylic acid Openeye Name: 2-[2-(2-adamantylamino)-2-oxo-ethoxy]-3-amino-4-(benzylamino)-5-chloro-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[2-(2-adamantylamino)-2-oxoethoxy]-3-amino-5-chloro-4-hydroxy-4-[(phenylmethyl)amino]-3-(9-purinyl)-2-oxolanecarboxylic acid IUPAC Name: 2-[2-(2-adamantylamino)-2-oxoethoxy]-3-amino-4-(benzylamino)-5-chloro-4-hydroxy-3-purin-9-yloxolane-2-carboxylic acid Traditional Name: 2-[2-(2-adamantylamino)-2-keto-ethoxy]-3-amino-4-(benzylamino)-5-chloro-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid Formula: C29H34ClN7O6 MolecularWeight: 612.07656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC4(C(C(C(O4)Cl)(NCC5=CC=CC=C5)O)(N)N6C=NC7=CN=CN=C76)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC4(C(C(C(O4)Cl)(NCC5=CC=CC=C5)O)(N)N6C=NC7=CN=CN=C76)C(=O)O

InChI

InChI=1S/C29H34ClN7O6/c30-25-27(41,35-11-16-4-2-1-3-5-16)29(31,37-15-34-21-12-32-14-33-24(21)37)28(43-25,26(39)40)42-13-22(38)36-23-19-7-17-6-18(9-19)10-20(23)8-17/h1-5,12,14-15,17-20,23,25,35,41H,6-11,13,31H2,(H,36,38)(H,39,40)