4-[[2-azanyl-7-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-azanyl-7-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-amino-7-(2-naphthylmethyl)-6-oxo-purin-1-yl]methyl]benzonitrile CAS Name: 4-[[2-amino-7-(2-naphthalenylmethyl)-6-oxo-1-purinyl]methyl]benzonitrile IUPAC Name: 4-[[2-amino-7-(naphthalen-2-ylmethyl)-6-oxopurin-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-amino-6-keto-7-(2-naphthylmethyl)purin-1-yl]methyl]benzonitrile Formula: C24H18N6O MolecularWeight: 406.43932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N(C(=N4)N)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N(C(=N4)N)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H18N6O/c25-12-16-5-7-17(8-6-16)14-30-23(31)21-22(28-24(30)26)27-15-29(21)13-18-9-10-19-3-1-2-4-20(19)11-18/h1-11,15H,13-14H2,(H2,26,28)