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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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