1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]-3-benzyl-7-cyclopentyl-purine-2,6-dione CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-3-benzyl-7-cyclopentylpurine-2,6-dione Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]-3-benzyl-7-cyclopentyl-xanthine Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H34N4O3/c34-24(29-13-20-10-21(14-29)12-22(11-20)15-29)17-32-27(35)25-26(30-18-33(25)23-8-4-5-9-23)31(28(32)36)16-19-6-2-1-3-7-19/h1-3,6-7,18,20-23H,4-5,8-17H2