N-[(4-methoxyphenyl)methyl]-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide Openeye Name: 2-[6-(benzylamino)purin-9-yl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[6-[(phenylmethyl)amino]-9-purinyl]acetamide IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[6-(benzylamino)purin-9-yl]-N-p-anisyl-acetamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2/c1-30-18-9-7-17(8-10-18)11-23-19(29)13-28-15-27-20-21(25-14-26-22(20)28)24-12-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,23,29)(H,24,25,26)