4-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile Openeye Name: 4-[3-isobutyl-7-(2-methoxyethyl)-2,6-dioxo-purin-8-yl]benzonitrile CAS Name: 4-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-dioxo-8-purinyl]benzonitrile IUPAC Name: 4-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-dioxopurin-8-yl]benzonitrile Traditional Name: 4-[3-isobutyl-2,6-diketo-7-(2-methoxyethyl)purin-8-yl]benzonitrile Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)CCOC

InChI

InChI=1S/C19H21N5O3/c1-12(2)11-24-17-15(18(25)22-19(24)26)23(8-9-27-3)16(21-17)14-6-4-13(10-20)5-7-14/h4-7,12H,8-9,11H2,1-3H3,(H,22,25,26)