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

Systemtic Name: 2-[2-methoxy-4-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[7-(2-methoxyethyl)-2,6-dioxo-3-propyl-purin-8-yl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[7-(2-methoxyethyl)-2,6-dioxo-3-propyl-8-purinyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[7-(2-methoxyethyl)-2,6-dioxo-3-propylpurin-8-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[2,6-diketo-7-(2-methoxyethyl)-3-propyl-purin-8-yl]-2-methoxy-phenoxy]acetonitrile Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC#N)OC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC#N)OC)CCOC

InChI

InChI=1S/C20H23N5O5/c1-4-8-25-18-16(19(26)23-20(25)27)24(9-11-28-2)17(22-18)13-5-6-14(30-10-7-21)15(12-13)29-3/h5-6,12H,4,8-11H2,1-3H3,(H,23,26,27)