N-[4-[1-[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]but-3-ynyl]phenyl]ethanamide

Systemtic Name: N-[4-[1-[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]but-3-ynyl]phenyl]ethanamide Openeye Name: N-[4-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)but-3-ynyl]phenyl]acetamide CAS Name: N-[4-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)but-3-ynyl]phenyl]acetamide IUPAC Name: N-[4-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)but-3-ynyl]phenyl]acetamide Traditional Name: N-[4-[1-(3-butyl-2,6-diketo-7H-purin-8-yl)but-3-ynyl]phenyl]acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C(CC#C)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C(CC#C)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H23N5O3/c1-4-6-12-26-19-17(20(28)25-21(26)29)23-18(24-19)16(7-5-2)14-8-10-15(11-9-14)22-13(3)27/h2,8-11,16H,4,6-7,12H2,1,3H3,(H,22,27)(H,23,24)(H,25,28,29)