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

Systemtic Name: N-(1-adamantylmethyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanamide Openeye Name: N-(1-adamantylmethyl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: N-(1-adamantylmethyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanamide IUPAC Name: N-(1-adamantylmethyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanamide Traditional Name: N-(1-adamantylmethyl)-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)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)NCC34CC5CC(C3)CC(C5)C4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCC34CC5CC(C3)CC(C5)C4)CC(C)C

InChI

InChI=1S/C27H41N5O3/c1-4-5-8-31-24-23(25(34)30-26(31)35)32(15-17(2)3)21(29-24)6-7-22(33)28-16-27-12-18-9-19(13-27)11-20(10-18)14-27/h17-20H,4-16H2,1-3H3,(H,28,33)(H,30,34,35)