(2S)-5-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-1,2-dihydropyrrole-4-carbonitrile

Systemtic Name: (2S)-5-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-1,2-dihydropyrrole-4-carbonitrile Openeye Name: (2S)-5-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-1,2-dihydropyrrole-4-carbonitrile CAS Name: (2S)-5-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-1,2-dihydropyrrole-4-carbonitrile IUPAC Name: (2S)-5-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-1,2-dihydropyrrole-4-carbonitrile Traditional Name: (5S)-2-amino-5-(1H-imidazol-5-ylmethyl)-4-keto-2-pyrroline-3-carbonitrile Formula: C9H9N5O MolecularWeight: 203.20066

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC2C(=O)C(=C(N2)N)C#N

Isomeric SMILES

C1=C(NC=N1)C[C@H]2C(=O)C(=C(N2)N)C#N

InChI

InChI=1S/C9H9N5O/c10-2-6-8(15)7(14-9(6)11)1-5-3-12-4-13-5/h3-4,7,14H,1,11H2,(H,12,13)/t7-/m0/s1