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

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C24H35N6O3+ MolecularWeight: 455.5731

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H34N6O3/c1-26-4-6-29(7-5-26)22-25-20-19(21(32)28(3)23(33)27(20)2)30(22)14-18(31)24-11-15-8-16(12-24)10-17(9-15)13-24/h15-17H,4-14H2,1-3H3/p+1