2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C21H19N4O2S- MolecularWeight: 391.46616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)[O-])C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)[O-])C)C4=CC=CC=C41

InChI

InChI=1S/C21H20N4O2S/c1-3-25-17-7-5-4-6-15(17)16-11-14(8-9-18(16)25)23-20(27)12-28-21-22-13(2)10-19(26)24-21/h4-11H,3,12H2,1-2H3,(H,23,27)(H,22,24,26)/p-1