2-[(2-chloranyl-9-methyl-6-oxidanylidene-purin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-chloranyl-9-methyl-6-oxidanylidene-purin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-chloro-9-methyl-6-oxo-purin-1-yl)methyl]benzonitrile CAS Name: 2-[(2-chloro-9-methyl-6-oxo-1-purinyl)methyl]benzonitrile IUPAC Name: 2-[(2-chloro-9-methyl-6-oxopurin-1-yl)methyl]benzonitrile Traditional Name: 2-[(2-chloro-6-keto-9-methyl-purin-1-yl)methyl]benzonitrile Formula: C14H10ClN5O MolecularWeight: 299.7151

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)Cl

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C14H10ClN5O/c1-19-8-17-11-12(19)18-14(15)20(13(11)21)7-10-5-3-2-4-9(10)6-16/h2-5,8H,7H2,1H3