2-[2-(2-adamantylamino)-2-oxidanylidene-ethoxy]-3-azido-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-azido-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-azido-4-(benzylamino)-5-chloro-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[2-(2-adamantylamino)-2-oxoethoxy]-3-azido-5-chloro-4-hydroxy-4-[(phenylmethyl)amino]-3-(9-purinyl)-2-oxolanecarboxylic acid IUPAC Name: 2-[2-(2-adamantylamino)-2-oxoethoxy]-3-azido-4-(benzylamino)-5-chloro-4-hydroxy-3-purin-9-yloxolane-2-carboxylic acid Traditional Name: 2-[2-(2-adamantylamino)-2-keto-ethoxy]-3-azido-4-(benzylamino)-5-chloro-4-hydroxy-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid Formula: C29H32ClN9O6 MolecularWeight: 638.07408

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32ClN9O6/c30-25-27(43,35-11-16-4-2-1-3-5-16)29(37-38-31,39-15-34-21-12-32-14-33-24(21)39)28(45-25,26(41)42)44-13-22(40)36-23-19-7-17-6-18(9-19)10-20(23)8-17/h1-5,12,14-15,17-20,23,25,35,43H,6-11,13H2,(H,36,40)(H,41,42)