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

Systemtic Name: 2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H18N3O3S- MolecularWeight: 392.45092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-14-7-8-18-17(11-14)24(9-10-27-18)20(26)13-28-21-22-16(12-19(25)23-21)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,22,23,25)/p-1