1-[3-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H16N6O MolecularWeight: 320.34854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)N

InChI

InChI=1S/C17H16N6O/c1-11(24)12-3-2-4-14(9-12)23-17-15(18)16(20-10-21-17)22-13-5-7-19-8-6-13/h2-10H,18H2,1H3,(H2,19,20,21,22,23)