2-[6-[(phenylmethyl)amino]purin-9-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[6-[(phenylmethyl)amino]purin-9-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[6-(benzylamino)purin-9-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[6-[(phenylmethyl)amino]-9-purinyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[6-(benzylamino)purin-9-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

InChI

InChI=1S/C23H24N6O4/c1-31-17-9-16(10-18(32-2)21(17)33-3)28-19(30)12-29-14-27-20-22(25-13-26-23(20)29)24-11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,28,30)(H,24,25,26)