7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C25H35N5O3/c1-15-4-6-29(7-5-15)23-26-21-20(22(32)28(3)24(33)27(21)2)30(23)14-19(31)25-11-16-8-17(12-25)10-18(9-16)13-25/h15-18H,4-14H2,1-3H3