4-[[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(3,7-diisobutyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile CAS Name: 4-[[3,7-bis(2-methylpropyl)-2,6-dioxo-1-purinyl]methyl]benzonitrile IUPAC Name: 4-[[3,7-bis(2-methylpropyl)-2,6-dioxopurin-1-yl]methyl]benzonitrile Traditional Name: 4-[(3,7-diisobutyl-2,6-diketo-purin-1-yl)methyl]benzonitrile Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N5O2/c1-14(2)10-24-13-23-19-18(24)20(27)26(21(28)25(19)11-15(3)4)12-17-7-5-16(9-22)6-8-17/h5-8,13-15H,10-12H2,1-4H3