2-methylsulfanyl-6-[[(Z)-(4-pentoxyphenyl)methylideneamino]carbamoyl]pyrimidin-4-olate

Systemtic Name: 2-methylsulfanyl-6-[[(Z)-(4-pentoxyphenyl)methylideneamino]carbamoyl]pyrimidin-4-olate Openeye Name: 2-methylsulfanyl-6-[[(Z)-(4-pentoxyphenyl)methyleneamino]carbamoyl]pyrimidin-4-olate CAS Name: 2-(methylthio)-6-[oxo-[(2Z)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]methyl]-4-pyrimidinolate IUPAC Name: 2-methylsulfanyl-6-[[(Z)-(4-pentoxyphenyl)methylideneamino]carbamoyl]pyrimidin-4-olate Traditional Name: 6-[[(Z)-(4-amoxybenzylidene)amino]carbamoyl]-2-(methylthio)pyrimidin-4-olate Formula: C18H21N4O3S- MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NC(=N2)SC)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N\NC(=O)C2=CC(=NC(=N2)SC)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-3-4-5-10-25-14-8-6-13(7-9-14)12-19-22-17(24)15-11-16(23)21-18(20-15)26-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,24)(H,20,21,23)/p-1/b19-12-