5-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-6-methyl-pyrimidin-4-olate Formula: C24H23N4O2S- MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H24N4O2S/c1-16-20(23(30)28-24(27-16)31-15-17-7-3-2-4-8-17)13-22(29)25-12-11-18-14-26-21-10-6-5-9-19(18)21/h2-10,14,26H,11-13,15H2,1H3,(H,25,29)(H,27,28,30)/p-1