2-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]ethanenitrile

Systemtic Name: 2-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]ethanenitrile Openeye Name: 2-[3-isobutyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]acetonitrile CAS Name: 2-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-dioxo-1-purinyl]acetonitrile IUPAC Name: 2-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-dioxopurin-1-yl]acetonitrile Traditional Name: 2-[3-isobutyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]acetonitrile Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC#N)N(C=N2)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC#N)N(C=N2)CCOC

InChI

InChI=1S/C14H19N5O3/c1-10(2)8-19-12-11(17(9-16-12)6-7-22-3)13(20)18(5-4-15)14(19)21/h9-10H,5-8H2,1-3H3