4-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzenecarbonitrile Openeye Name: 4-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzonitrile CAS Name: 4-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]benzonitrile IUPAC Name: 4-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzonitrile Traditional Name: 4-[[(2-amino-4-keto-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzonitrile Formula: C15H12N6O MolecularWeight: 292.29538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)C#N

InChI

InChI=1S/C15H12N6O/c16-5-9-1-3-10(4-2-9)6-18-7-11-8-19-13-12(11)14(22)21-15(17)20-13/h1-4,8,18H,6-7H2,(H2,17,21,22)