1-[ethanoyl(pyrimidin-2-yl)amino]-3-(4-ethylpyridin-1-ium-1-yl)-4,5-bis(oxidanylidene)pyrrol-2-olate

Systemtic Name: 1-[ethanoyl(pyrimidin-2-yl)amino]-3-(4-ethylpyridin-1-ium-1-yl)-4,5-bis(oxidanylidene)pyrrol-2-olate Openeye Name: 1-[acetyl(pyrimidin-2-yl)amino]-3-(4-ethylpyridin-1-ium-1-yl)-4,5-dioxo-pyrrol-2-olate CAS Name: 1-[acetyl(2-pyrimidinyl)amino]-3-(4-ethyl-1-pyridin-1-iumyl)-4,5-dioxo-2-pyrrololate IUPAC Name: 1-[acetyl(pyrimidin-2-yl)amino]-3-(4-ethylpyridin-1-ium-1-yl)-4,5-dioxopyrrol-2-olate Traditional Name: 1-[acetyl(2-pyrimidyl)amino]-3-(4-ethylpyridin-1-ium-1-yl)-4,5-diketo-2-pyrrolin-2-olate Formula: C17H15N5O4 MolecularWeight: 353.3321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=O)N(C3=NC=CC=N3)C(=O)C)[O-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=O)N(C3=NC=CC=N3)C(=O)C)[O-]

InChI

InChI=1S/C17H15N5O4/c1-3-12-5-9-20(10-6-12)13-14(24)16(26)22(15(13)25)21(11(2)23)17-18-7-4-8-19-17/h4-10H,3H2,1-2H3