2-azanyl-4-ethynyl-6-phenyl-pyrimidine-5-carbonitrile; benzene

Systemtic Name: 2-azanyl-4-ethynyl-6-phenyl-pyrimidine-5-carbonitrile; benzene Openeye Name: 2-amino-4-ethynyl-6-phenyl-pyrimidine-5-carbonitrile; benzene CAS Name: 2-amino-4-ethynyl-6-phenyl-5-pyrimidinecarbonitrile; benzene IUPAC Name: 2-amino-4-ethynyl-6-phenylpyrimidine-5-carbonitrile; benzene Traditional Name: 2-amino-4-ethynyl-6-phenyl-pyrimidine-5-carbonitrile; benzene Formula: C19H14N4 MolecularWeight: 298.34126

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=NC(=N1)N)C2=CC=CC=C2)C#N.C1=CC=CC=C1

Isomeric SMILES

C#CC1=C(C(=NC(=N1)N)C2=CC=CC=C2)C#N.C1=CC=CC=C1

InChI

InChI=1S/C13H8N4.C6H6/c1-2-11-10(8-14)12(17-13(15)16-11)9-6-4-3-5-7-9;1-2-4-6-5-3-1/h1,3-7H,(H2,15,16,17);1-6H