N-[2-(4-methoxyphenyl)ethyl]-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N5O4/c1-19(2)15-30-18-29-25-24(30)26(34)32(27(35)31(25)16-21-7-5-4-6-8-21)17-23(33)28-14-13-20-9-11-22(36-3)12-10-20/h4-12,18-19H,13-17H2,1-3H3,(H,28,33)