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

Systemtic Name: 2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCOC3=C2C=C(C=C3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCOC3=C2C=C(C=C3)C)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-3-4-13-10-16(22)20-18(19-13)25-11-17(23)21-7-8-24-15-6-5-12(2)9-14(15)21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,20,22)/p-1