3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]-N-(4-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]-N-(4-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)-N-(4-chloro-2-methyl-phenyl)propanamide CAS Name: 3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)-N-(4-chloro-2-methylphenyl)propanamide IUPAC Name: 3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)-N-(4-chloro-2-methylphenyl)propanamide Traditional Name: 3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)-N-(4-chloro-2-methyl-phenyl)propionamide Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H28ClN5O3/c1-4-6-12-27-17(9-10-18(29)24-16-8-7-15(23)13-14(16)3)25-20-19(27)21(30)26-22(31)28(20)11-5-2/h7-8,13H,4-6,9-12H2,1-3H3,(H,24,29)(H,26,30,31)