2-[[2-(3-azanylpropylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(3-azanylpropylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(3-aminopropylamino)-8-oxo-7H-purin-9-yl]methyl]benzonitrile CAS Name: 2-[[2-(3-aminopropylamino)-8-oxo-7H-purin-9-yl]methyl]benzonitrile IUPAC Name: 2-[[2-(3-aminopropylamino)-8-oxo-7H-purin-9-yl]methyl]benzonitrile Traditional Name: 2-[[2-(3-aminopropylamino)-8-keto-7H-purin-9-yl]methyl]benzonitrile Formula: C16H17N7O MolecularWeight: 323.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=NC(=NC=C3NC2=O)NCCCN)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=NC(=NC=C3NC2=O)NCCCN)C#N

InChI

InChI=1S/C16H17N7O/c17-6-3-7-19-15-20-9-13-14(22-15)23(16(24)21-13)10-12-5-2-1-4-11(12)8-18/h1-2,4-5,9H,3,6-7,10,17H2,(H,21,24)(H,19,20,22)