N-(1-adamantyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide

Systemtic Name: N-(1-adamantyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide Openeye Name: N-(1-adamantyl)-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanamide CAS Name: N-(1-adamantyl)-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanamide IUPAC Name: N-(1-adamantyl)-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanamide Traditional Name: N-(1-adamantyl)-3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionamide Formula: C27H41N5O3 MolecularWeight: 483.64614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H41N5O3/c1-3-5-7-11-31-21(28-24-23(31)25(34)29-26(35)32(24)10-6-4-2)8-9-22(33)30-27-15-18-12-19(16-27)14-20(13-18)17-27/h18-20H,3-17H2,1-2H3,(H,30,33)(H,29,34,35)