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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-3-4-8-11-23-18(28)15-27-21(29)19-20(24-16-25(19)12-13-31-2)26(22(27)30)14-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3,(H,23,28)