2-[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl]thio]benzoate Formula: C18H20N3O5S- MolecularWeight: 390.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=C2C(=O)[O-])N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=C2C(=O)[O-])N

InChI

InChI=1S/C18H21N3O5S/c1-10(2)8-21-15(19)14(16(23)20(3)18(21)26)12(22)9-27-13-7-5-4-6-11(13)17(24)25/h4-7,10H,8-9,19H2,1-3H3,(H,24,25)/p-1