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

Systemtic Name: N-(1-adamantyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanamide Openeye Name: N-(1-adamantyl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: N-(1-adamantyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanamide IUPAC Name: N-(1-adamantyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanamide Traditional Name: N-(1-adamantyl)-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionamide Formula: C26H39N5O3 MolecularWeight: 469.61956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC34CC5CC(C3)CC(C5)C4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC34CC5CC(C3)CC(C5)C4)CC(C)C

InChI

InChI=1S/C26H39N5O3/c1-4-5-8-30-23-22(24(33)28-25(30)34)31(15-16(2)3)20(27-23)6-7-21(32)29-26-12-17-9-18(13-26)11-19(10-17)14-26/h16-19H,4-15H2,1-3H3,(H,29,32)(H,28,33,34)