phenyl(pyridin-2-yl)methanone; 7H-purin-6-amine

Systemtic Name: phenyl(pyridin-2-yl)methanone; 7H-purin-6-amine Openeye Name: phenyl(2-pyridyl)methanone; 7H-purin-6-amine CAS Name: phenyl(2-pyridinyl)methanone; 7H-purin-6-amine IUPAC Name: phenyl(pyridin-2-yl)methanone; 7H-purin-6-amine Traditional Name: 7H-adenine; phenyl(2-pyridyl)methanone Formula: C17H14N6O MolecularWeight: 318.33266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=N2.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=N2.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C12H9NO.C5H5N5/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11;6-4-3-5(9-1-7-3)10-2-8-4/h1-9H;1-2H,(H3,6,7,8,9,10)