2-[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-(3,7-diisobutyl-2,6-dioxo-purin-1-yl)-N-methyl-N-phenyl-acetamide CAS Name: 2-[3,7-bis(2-methylpropyl)-2,6-dioxo-1-purinyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[3,7-bis(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-(3,7-diisobutyl-2,6-diketo-purin-1-yl)-N-methyl-N-phenyl-acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O3/c1-15(2)11-25-14-23-20-19(25)21(29)27(22(30)26(20)12-16(3)4)13-18(28)24(5)17-9-7-6-8-10-17/h6-10,14-16H,11-13H2,1-5H3