7H-purin-6-amine; 1-pyridin-3-ylpropan-1-one

Systemtic Name: 7H-purin-6-amine; 1-pyridin-3-ylpropan-1-one Openeye Name: 7H-purin-6-amine; 1-(3-pyridyl)propan-1-one CAS Name: 7H-purin-6-amine; 1-(3-pyridinyl)-1-propanone IUPAC Name: 7H-purin-6-amine; 1-pyridin-3-ylpropan-1-one Traditional Name: 7H-adenine; 1-(3-pyridyl)propan-1-one Formula: C13H14N6O MolecularWeight: 270.28986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO.C5H5N5/c1-2-8(10)7-4-3-5-9-6-7;6-4-3-5(9-1-7-3)10-2-8-4/h3-6H,2H2,1H3;1-2H,(H3,6,7,8,9,10)