N-butyl-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-butyl-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-butyl-N-methyl-acetamide CAS Name: N-butyl-2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-methylacetamide IUPAC Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-butyl-N-methylacetamide Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]-N-butyl-N-methyl-acetamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN(C)C(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O4/c1-4-5-11-24(2)18(28)15-27-21(29)19-20(23-16-25(19)12-13-31-3)26(22(27)30)14-17-9-7-6-8-10-17/h6-10,16H,4-5,11-15H2,1-3H3