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

Systemtic Name: N-[4-[[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[(3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]acetamide CAS Name: N-[4-[(3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[(3-butyl-2,6-diketo-7H-purin-8-yl)methyl]phenyl]acetamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C18H21N5O3/c1-3-4-9-23-16-15(17(25)22-18(23)26)20-14(21-16)10-12-5-7-13(8-6-12)19-11(2)24/h5-8H,3-4,9-10H2,1-2H3,(H,19,24)(H,20,21)(H,22,25,26)