5-(2-hydroxyethyl)-6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-(2-hydroxyethyl)-6-methyl-2-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-(2-hydroxyethyl)-2-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-11-3-4-15-14(9-11)21(6-8-25-15)16(23)10-26-18-19-12(2)13(5-7-22)17(24)20-18/h3-4,9,22H,5-8,10H2,1-2H3,(H,19,20,24)/p-1