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

Systemtic Name: 4-[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile Openeye Name: 4-(3,7-diisobutyl-2,6-dioxo-purin-8-yl)benzonitrile CAS Name: 4-[3,7-bis(2-methylpropyl)-2,6-dioxo-8-purinyl]benzonitrile IUPAC Name: 4-[3,7-bis(2-methylpropyl)-2,6-dioxopurin-8-yl]benzonitrile Traditional Name: 4-(3,7-diisobutyl-2,6-diketo-purin-8-yl)benzonitrile Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C20H23N5O2/c1-12(2)10-24-16-18(25(11-13(3)4)20(27)23-19(16)26)22-17(24)15-7-5-14(9-21)6-8-15/h5-8,12-13H,10-11H2,1-4H3,(H,23,26,27)