7-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)N4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)N4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C20H26N4O3/c1-11(16(25)20-7-12-4-13(8-20)6-14(5-12)9-20)24-10-21-17-15(24)18(26)23(3)19(27)22(17)2/h10-14H,4-9H2,1-3H3/t11-,12?,13?,14?,20?/m1/s1