2-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]benzonitrile CAS Name: 2-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]benzonitrile IUPAC Name: 2-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]benzonitrile Traditional Name: 2-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]benzonitrile Formula: C15H12ClN5O2 MolecularWeight: 329.74108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3C#N

InChI

InChI=1S/C15H12ClN5O2/c1-19-12-11(13(22)20(2)15(19)23)21(14(16)18-12)8-10-6-4-3-5-9(10)7-17/h3-6H,8H2,1-2H3