2-[2-[[3-(1-adamantylcarbonylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[3-(1-adamantylcarbonylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[3-(adamantane-1-carbonylamino)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-[[1-adamantyl(oxo)methyl]amino]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[3-(adamantane-1-carbonylamino)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[3-(adamantane-1-carbonylamino)anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C26H31N4O3S- MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)[O-]

InChI

InChI=1S/C26H32N4O3S/c1-2-4-19-11-22(31)30-25(29-19)34-15-23(32)27-20-5-3-6-21(10-20)28-24(33)26-12-16-7-17(13-26)9-18(8-16)14-26/h3,5-6,10-11,16-18H,2,4,7-9,12-15H2,1H3,(H,27,32)(H,28,33)(H,29,30,31)/p-1