2-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(3-imidazol-1-ylpropylamino)-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(1-imidazolyl)propylamino]-4-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(3-imidazol-1-ylpropylamino)-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(3-imidazol-1-ylpropylamino)-4-keto-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C16H15N7O MolecularWeight: 321.3366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C(C(=O)N=C(N2)NCCCN3C=CN=C3)C#N

Isomeric SMILES

C1=CC(=CN=C1)C2=C(C(=O)N=C(N2)NCCCN3C=CN=C3)C#N

InChI

InChI=1S/C16H15N7O/c17-9-13-14(12-3-1-4-18-10-12)21-16(22-15(13)24)20-5-2-7-23-8-6-19-11-23/h1,3-4,6,8,10-11H,2,5,7H2,(H2,20,21,22,24)