2-[4-[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(3-butyl-7-isopentyl-2,6-dioxo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[3-butyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[3-butyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(3-butyl-7-isoamyl-2,6-diketo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC#N)OC)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC#N)OC)CCC(C)C

InChI

InChI=1S/C23H29N5O4/c1-5-6-11-28-21-19(22(29)26-23(28)30)27(12-9-15(2)3)20(25-21)16-7-8-17(32-13-10-24)18(14-16)31-4/h7-8,14-15H,5-6,9,11-13H2,1-4H3,(H,26,29,30)