6-methyl-5-[3-oxidanylidene-3-(quinolin-5-ylamino)propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[3-oxidanylidene-3-(quinolin-5-ylamino)propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-(5-quinolylamino)propyl]pyrimidin-4-olate CAS Name: 6-methyl-5-[3-oxo-3-(5-quinolinylamino)propyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-(quinolin-5-ylamino)propyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[3-keto-3-(5-quinolylamino)propyl]-6-methyl-pyrimidin-4-olate Formula: C24H21N4O2S- MolecularWeight: 429.51414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C24H22N4O2S/c1-16-18(23(30)28-24(26-16)31-15-17-7-3-2-4-8-17)12-13-22(29)27-21-11-5-10-20-19(21)9-6-14-25-20/h2-11,14H,12-13,15H2,1H3,(H,27,29)(H,26,28,30)/p-1