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

Systemtic Name: N-heptan-2-yl-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-heptan-2-ylacetamide Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]-N-(1-methylhexyl)acetamide Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O4/c1-4-5-7-10-18(2)26-20(30)16-29-23(31)21-22(25-17-27(21)13-14-33-3)28(24(29)32)15-19-11-8-6-9-12-19/h6,8-9,11-12,17-18H,4-5,7,10,13-16H2,1-3H3,(H,26,30)