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

Systemtic Name: N-[6-azanyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C23H23N5O7S MolecularWeight: 513.52302

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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=CC4=C(C=C3)OCCO4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC4=C(C=C3)OCCO4)N)OC

InChI

InChI=1S/C23H23N5O7S/c1-32-14-5-3-12(9-16(14)33-2)21(30)26-19-20(24)27-23(28-22(19)31)36-11-18(29)25-13-4-6-15-17(10-13)35-8-7-34-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,25,29)(H,26,30)(H3,24,27,28,31)