2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H18N3O3S- MolecularWeight: 368.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=CO2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=CO2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-13-16(10-14-6-3-2-4-7-14)18(24)22-19(21-13)26-12-17(23)20-11-15-8-5-9-25-15/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22,24)/p-1