2-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]-N-(4-ethylphenyl)ethanamide

Systemtic Name: 2-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-(7-butyl-2,6-dioxo-3-propyl-purin-1-yl)-N-(4-ethylphenyl)acetamide CAS Name: 2-(7-butyl-2,6-dioxo-3-propyl-1-purinyl)-N-(4-ethylphenyl)acetamide IUPAC Name: 2-(7-butyl-2,6-dioxo-3-propylpurin-1-yl)-N-(4-ethylphenyl)acetamide Traditional Name: 2-(7-butyl-2,6-diketo-3-propyl-purin-1-yl)-N-(4-ethylphenyl)acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)NC3=CC=C(C=C3)CC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)NC3=CC=C(C=C3)CC

InChI

InChI=1S/C22H29N5O3/c1-4-7-13-25-15-23-20-19(25)21(29)27(22(30)26(20)12-5-2)14-18(28)24-17-10-8-16(6-3)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3,(H,24,28)