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

Systemtic Name: 6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-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]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-6-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C23H22N3O3S- MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=C(C(=N3)[O-])CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=C(C(=N3)[O-])CC4=CC=CC=C4)C

InChI

InChI=1S/C23H23N3O3S/c1-15-8-9-20-19(12-15)26(10-11-29-20)21(27)14-30-23-24-16(2)18(22(28)25-23)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,28)/p-1