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

Systemtic Name: 2-[4-[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-(3-butyl-7-methyl-2,6-dioxo-8-purinyl)-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(3-butyl-7-methyl-2,6-dioxopurin-8-yl)-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(3-butyl-2,6-diketo-7-methyl-purin-8-yl)-2-methoxy-phenoxy]acetonitrile Formula: C19H21N5O4 MolecularWeight: 383.40114

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c1-4-5-9-24-17-15(18(25)22-19(24)26)23(2)16(21-17)12-6-7-13(28-10-8-20)14(11-12)27-3/h6-7,11H,4-5,9-10H2,1-3H3,(H,22,25,26)