5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-[2-(2-furylmethylamino)-2-oxo-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-[2-(2-furanylmethylamino)-2-oxoethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 5-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-(2-furfurylamino)-2-keto-ethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@@H](C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H21N3O3S/c1-13-17(11-18(24)21-12-16-9-6-10-26-16)19(25)23-20(22-13)27-14(2)15-7-4-3-5-8-15/h3-10,14H,11-12H2,1-2H3,(H,21,24)(H,22,23,25)/p-1/t14-/m0/s1