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

Systemtic Name: N-(2-bromophenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanamide Openeye Name: N-(2-bromophenyl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: N-(2-bromophenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanamide IUPAC Name: N-(2-bromophenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanamide Traditional Name: N-(2-bromophenyl)-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionamide Formula: C22H28BrN5O3 MolecularWeight: 490.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3Br)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3Br)CC(C)C

InChI

InChI=1S/C22H28BrN5O3/c1-4-5-12-27-20-19(21(30)26-22(27)31)28(13-14(2)3)17(25-20)10-11-18(29)24-16-9-7-6-8-15(16)23/h6-9,14H,4-5,10-13H2,1-3H3,(H,24,29)(H,26,30,31)