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4-[(6-oxidanylidene-3,5-dihydropurin-2-yl)amino]benzenecarbonitrile

4-[(6-oxidanylidene-3,5-dihydropurin-2-yl)amino]benzenecarbonitrile

Systemtic Name:4-[(6-oxidanylidene-3,5-dihydropurin-2-yl)amino]benzenecarbonitrile
Openeye Name:4-[(6-oxo-3,5-dihydropurin-2-yl)amino]benzonitrile
CAS Name:4-[(6-oxo-3,5-dihydropurin-2-yl)amino]benzonitrile
IUPAC Name:4-[(6-oxo-3,5-dihydropurin-2-yl)amino]benzonitrile
Traditional Name:4-[(6-keto-3,5-dihydropurin-2-yl)amino]benzonitrile
Formula: C12H8N6O
MolecularWeight: 252.23152
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC(=O)C3C(=NC=N3)N2


Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC(=O)C3C(=NC=N3)N2


InChI

InChI=1S/C12H8N6O/c13-5-7-1-3-8(4-2-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6,9H,(H2,14,15,16,17,18,19)


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