3-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzenecarbonitrile

Systemtic Name: 3-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzenecarbonitrile Openeye Name: 3-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methylamino]benzonitrile CAS Name: 3-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methylamino]benzonitrile IUPAC Name: 3-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methylamino]benzonitrile Traditional Name: 3-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methylamino]benzonitrile Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC(=C3)C#N)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC(=C3)C#N)CC

InChI

InChI=1S/C19H22N6O2/c1-3-5-9-25-17-16(18(26)23-19(25)27)24(4-2)15(22-17)12-21-14-8-6-7-13(10-14)11-20/h6-8,10,21H,3-5,9,12H2,1-2H3,(H,23,26,27)