4-[5-methylsulfonyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[5-methylsulfonyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[5-methylsulfonyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 4-[5-methylsulfonyl-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-methylsulfonyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-[5-mesyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Formula: C19H17N7O4S MolecularWeight: 439.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N7O4S/c1-31(29,30)16-12-24-19(25-18(16)14-4-2-13(10-20)3-5-14)22-9-8-21-17-7-6-15(11-23-17)26(27)28/h2-7,11-12H,8-9H2,1H3,(H,21,23)(H,22,24,25)