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

Systemtic Name: N-(2-adamantyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-methyl-propanamide Openeye Name: N-(2-adamantyl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-methyl-propanamide CAS Name: N-(2-adamantyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-methylpropanamide IUPAC Name: N-(2-adamantyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-methylpropanamide Traditional Name: N-(2-adamantyl)-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-methyl-propionamide Formula: C27H41N5O3 MolecularWeight: 483.64614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(C)C3C4CC5CC(C4)CC3C5)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(C)C3C4CC5CC(C4)CC3C5)CC(C)C

InChI

InChI=1S/C27H41N5O3/c1-5-6-9-31-25-24(26(34)29-27(31)35)32(15-16(2)3)21(28-25)7-8-22(33)30(4)23-19-11-17-10-18(13-19)14-20(23)12-17/h16-20,23H,5-15H2,1-4H3,(H,29,34,35)