4-oxidanylidene-2-(phenylmethyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-(phenylmethyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzyl-4-oxo-6-(3-pyridylmethylamino)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(phenylmethyl)-6-(3-pyridinylmethylamino)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzyl-4-oxo-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-benzyl-4-keto-6-(3-pyridylmethylamino)-1H-pyrimidine-5-carbonitrile Formula: C18H15N5O MolecularWeight: 317.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=O)C(=C(N2)NCC3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=O)C(=C(N2)NCC3=CN=CC=C3)C#N

InChI

InChI=1S/C18H15N5O/c19-10-15-17(21-12-14-7-4-8-20-11-14)22-16(23-18(15)24)9-13-5-2-1-3-6-13/h1-8,11H,9,12H2,(H2,21,22,23,24)