6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H16N3O3S- MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=CC(=N3)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=CC(=N3)[O-])C

InChI

InChI=1S/C16H17N3O3S/c1-10-3-4-13-12(7-10)19(5-6-22-13)15(21)9-23-16-17-11(2)8-14(20)18-16/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,18,20)/p-1