2-[[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methoxy]-5-chloranyl-benzamide

Systemtic Name: 2-[[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methoxy]-5-chloranyl-benzamide Openeye Name: 2-[(3-benzyl-7-butyl-2,6-dioxo-purin-8-yl)methoxy]-5-chloro-benzamide CAS Name: 2-[[7-butyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]methoxy]-5-chlorobenzamide IUPAC Name: 2-[(3-benzyl-7-butyl-2,6-dioxopurin-8-yl)methoxy]-5-chlorobenzamide Traditional Name: 2-[(3-benzyl-7-butyl-2,6-diketo-purin-8-yl)methoxy]-5-chloro-benzamide Formula: C24H24ClN5O4 MolecularWeight: 481.93146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=C(C=C(C=C4)Cl)C(=O)N

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=C(C=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C24H24ClN5O4/c1-2-3-11-29-19(14-34-18-10-9-16(25)12-17(18)21(26)31)27-22-20(29)23(32)28-24(33)30(22)13-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13-14H2,1H3,(H2,26,31)(H,28,32,33)