N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-oxidanyl-undecyl]-N-dodecyl-benzamide

Systemtic Name: N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-oxidanyl-undecyl]-N-dodecyl-benzamide Openeye Name: N-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-2-hydroxy-undecyl]-N-dodecyl-benzamide CAS Name: N-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-hydroxyundecyl]-N-dodecylbenzamide IUPAC Name: N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-dodecylbenzamide Traditional Name: N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)-2-hydroxy-undecyl]-N-lauryl-benzamide Formula: C37H59N5O4 MolecularWeight: 637.89546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C37H59N5O4/c1-4-5-6-7-8-9-10-13-16-22-27-41(35(44)31-24-19-18-20-25-31)29-32(43)26-21-15-12-11-14-17-23-28-42-36(45)33-34(38-30-39(33)2)40(3)37(42)46/h18-20,24-25,30,32,43H,4-17,21-23,26-29H2,1-3H3