4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzenecarbonitrile Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzonitrile CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzonitrile IUPAC Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzonitrile Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)benzonitrile Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)