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

Systemtic Name: 2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C23H23N4O2S- MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N(C4=CC=CC=C43)CC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N(C4=CC=CC=C43)CC)[O-]

InChI

InChI=1S/C23H24N4O2S/c1-3-7-15-13-21(28)26-23(25-15)30-14-22(29)24-16-10-11-20-18(12-16)17-8-5-6-9-19(17)27(20)4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,24,29)(H,25,26,28)/p-1