tert-butyl N-[2-[[2-[(6Z)-6-[azanyl(oxidanyl)methylidene]-4,5-bis(oxidanylidene)-1H-pyrimidin-2-yl]thiophen-3-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[2-[(6Z)-6-[azanyl(oxidanyl)methylidene]-4,5-bis(oxidanylidene)-1H-pyrimidin-2-yl]thiophen-3-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[2-[(6Z)-6-[amino(hydroxy)methylene]-4,5-dioxo-1H-pyrimidin-2-yl]-3-thienyl]amino]-2-oxo-1-phenyl-ethyl]carbamate CAS Name: N-[2-[[2-[(6Z)-6-[amino(hydroxy)methylidene]-4,5-dioxo-1H-pyrimidin-2-yl]-3-thiophenyl]amino]-2-oxo-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[2-[(6Z)-6-[amino(hydroxy)methylidene]-4,5-dioxo-1H-pyrimidin-2-yl]thiophen-3-yl]amino]-2-oxo-1-phenylethyl]carbamate Traditional Name: N-[2-[[2-[(6Z)-6-[amino(hydroxy)methylene]-4,5-diketo-1H-pyrimidin-2-yl]-3-thienyl]amino]-2-keto-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NC2=C(SC=C2)C3=NC(=O)C(=O)C(=C(N)O)N3

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NC2=C(SC=C2)C3=NC(=O)C(=O)/C(=C(\N)/O)/N3

InChI

InChI=1S/C22H23N5O6S/c1-22(2,3)33-21(32)26-13(11-7-5-4-6-8-11)19(30)24-12-9-10-34-16(12)18-25-14(17(23)29)15(28)20(31)27-18/h4-10,13,29H,23H2,1-3H3,(H,24,30)(H,26,32)(H,25,27,31)/b17-14-