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

Systemtic Name: 2-[(2-chloranyl-6-oxidanylidene-9-propyl-purin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-chloro-6-oxo-9-propyl-purin-1-yl)methyl]benzonitrile CAS Name: 2-[(2-chloro-6-oxo-9-propyl-1-purinyl)methyl]benzonitrile IUPAC Name: 2-[(2-chloro-6-oxo-9-propylpurin-1-yl)methyl]benzonitrile Traditional Name: 2-[(2-chloro-6-keto-9-propyl-purin-1-yl)methyl]benzonitrile Formula: C16H14ClN5O MolecularWeight: 327.76826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)Cl

Isomeric SMILES

CCCN1C=NC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C16H14ClN5O/c1-2-7-21-10-19-13-14(21)20-16(17)22(15(13)23)9-12-6-4-3-5-11(12)8-18/h3-6,10H,2,7,9H2,1H3