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

Systemtic Name: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)N

InChI

InChI=1S/C23H24N4O5S/c1-14(2)12-27-19(24)18(21(29)26(3)23(27)31)17(28)13-32-22(30)16-10-7-11-25-20(16)33-15-8-5-4-6-9-15/h4-11,14H,12-13,24H2,1-3H3