N-(1-adamantyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(1-adamantyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H31N5O3/c1-2-29-16-27-23-22(29)24(33)31(25(34)30(23)14-17-6-4-3-5-7-17)15-21(32)28-26-11-18-8-19(12-26)10-20(9-18)13-26/h3-7,16,18-20H,2,8-15H2,1H3,(H,28,32)