2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N5O5/c1-26-19-18(20(30)27(2)22(26)32)28(13-25-19)5-6-33-17(29)3-4-24-21(31)23-10-14-7-15(11-23)9-16(8-14)12-23/h13-16H,3-12H2,1-2H3,(H,24,31)