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

Systemtic Name: N-[6-azanyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C22H22FN5O5S MolecularWeight: 487.503983

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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)NCC3=CC=C(C=C3)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3=CC=C(C=C3)F)N)OC

InChI

InChI=1S/C22H22FN5O5S/c1-32-15-8-5-13(9-16(15)33-2)20(30)26-18-19(24)27-22(28-21(18)31)34-11-17(29)25-10-12-3-6-14(23)7-4-12/h3-9H,10-11H2,1-2H3,(H,25,29)(H,26,30)(H3,24,27,28,31)