(5E)-5-[1-(azepan-1-ylamino)ethylidene]-4,6-bis(oxidanylidene)-1-phenyl-pyrimidin-2-olate

Systemtic Name: (5E)-5-[1-(azepan-1-ylamino)ethylidene]-4,6-bis(oxidanylidene)-1-phenyl-pyrimidin-2-olate Openeye Name: (5E)-5-[1-(azepan-1-ylamino)ethylidene]-4,6-dioxo-1-phenyl-pyrimidin-2-olate CAS Name: (5E)-5-[1-(1-azepanylamino)ethylidene]-4,6-dioxo-1-phenyl-2-pyrimidinolate IUPAC Name: (5E)-5-[1-(azepan-1-ylamino)ethylidene]-4,6-dioxo-1-phenylpyrimidin-2-olate Traditional Name: (5E)-5-[1-(azepan-1-ylamino)ethylidene]-4,6-diketo-1-phenyl-pyrimidin-2-olate Formula: C18H21N4O3- MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])NN3CCCCCC3

Isomeric SMILES

C/C(=C\1/C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])/NN3CCCCCC3

InChI

InChI=1S/C18H22N4O3/c1-13(20-21-11-7-2-3-8-12-21)15-16(23)19-18(25)22(17(15)24)14-9-5-4-6-10-14/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H,19,23,25)/p-1/b15-13+