N-[2-butyl-9-(phenylmethyl)purin-6-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-butyl-9-(phenylmethyl)purin-6-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-(9-benzyl-2-butyl-purin-6-yl)-3,4,5-trimethoxy-benzamide CAS Name: N-[2-butyl-9-(phenylmethyl)-6-purinyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-(9-benzyl-2-butylpurin-6-yl)-3,4,5-trimethoxybenzamide Traditional Name: N-(9-benzyl-2-butyl-purin-6-yl)-3,4,5-trimethoxy-benzamide Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N=CN2CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N=CN2CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O4/c1-5-6-12-21-28-24(22-25(29-21)31(16-27-22)15-17-10-8-7-9-11-17)30-26(32)18-13-19(33-2)23(35-4)20(14-18)34-3/h7-11,13-14,16H,5-6,12,15H2,1-4H3,(H,28,29,30,32)