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

Systemtic Name: 6-methyl-2-methylsulfanyl-5-[3-oxidanylidene-3-(pyridin-4-ylamino)propyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-methylsulfanyl-5-[3-oxo-3-(4-pyridylamino)propyl]pyrimidin-4-olate CAS Name: 6-methyl-2-(methylthio)-5-[3-oxo-3-(pyridin-4-ylamino)propyl]-4-pyrimidinolate IUPAC Name: 6-methyl-2-methylsulfanyl-5-[3-oxo-3-(pyridin-4-ylamino)propyl]pyrimidin-4-olate Traditional Name: 5-[3-keto-3-(4-pyridylamino)propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C14H15N4O2S- MolecularWeight: 303.3595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2=CC=NC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2=CC=NC=C2

InChI

InChI=1S/C14H16N4O2S/c1-9-11(13(20)18-14(16-9)21-2)3-4-12(19)17-10-5-7-15-8-6-10/h5-8H,3-4H2,1-2H3,(H,15,17,19)(H,16,18,20)/p-1