N-[6-azanyl-2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C21H20N6O7S MolecularWeight: 500.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N)OC

InChI

InChI=1S/C21H20N6O7S/c1-33-14-8-3-11(9-15(14)34-2)19(29)24-17-18(22)25-21(26-20(17)30)35-10-16(28)23-12-4-6-13(7-5-12)27(31)32/h3-9H,10H2,1-2H3,(H,23,28)(H,24,29)(H3,22,25,26,30)