4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H16N6O3 MolecularWeight: 352.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C=CN=C(N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C=CC1=C2C=CN=C(N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3/c24-14-4-1-12(2-5-14)15-7-8-19-17(22-15)20-10-9-18-16-6-3-13(11-21-16)23(25)26/h1-8,11H,9-10H2,(H,18,21)(H2,19,20,22)