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

Systemtic Name: 2-[4-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(7-butyl-3-isobutyl-2,6-dioxo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[7-butyl-3-(2-methylpropyl)-2,6-dioxo-8-purinyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[7-butyl-3-(2-methylpropyl)-2,6-dioxopurin-8-yl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(7-butyl-3-isobutyl-2,6-diketo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC#N)OC)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC#N)OC)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C22H27N5O4/c1-5-6-10-26-18-20(27(13-14(2)3)22(29)25-21(18)28)24-19(26)15-7-8-16(31-11-9-23)17(12-15)30-4/h7-8,12,14H,5-6,10-11,13H2,1-4H3,(H,25,28,29)