2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC(C)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)N[C@H](C)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H35N5O3/c1-6-8-12-28-16-26-23-22(28)24(32)30(25(33)29(23)13-9-7-2)15-21(31)27-19(5)20-11-10-17(3)18(4)14-20/h10-11,14,16,19H,6-9,12-13,15H2,1-5H3,(H,27,31)/t19-/m1/s1