2-[[2-chloranyl-6-oxidanylidene-7-(phenylmethoxymethyl)purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-chloranyl-6-oxidanylidene-7-(phenylmethoxymethyl)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[7-(benzyloxymethyl)-2-chloro-6-oxo-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-chloro-6-oxo-7-(phenylmethoxymethyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[2-chloro-6-oxo-7-(phenylmethoxymethyl)purin-1-yl]methyl]benzonitrile Traditional Name: 2-[[7-(benzoxymethyl)-2-chloro-6-keto-purin-1-yl]methyl]benzonitrile Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C=NC3=C2C(=O)N(C(=N3)Cl)CC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)COCN2C=NC3=C2C(=O)N(C(=N3)Cl)CC4=CC=CC=C4C#N

InChI

InChI=1S/C21H16ClN5O2/c22-21-25-19-18(20(28)27(21)11-17-9-5-4-8-16(17)10-23)26(13-24-19)14-29-12-15-6-2-1-3-7-15/h1-9,13H,11-12,14H2