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

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C22H20N6O5S2 MolecularWeight: 512.5614

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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=NC4=CC=CC=C4S3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)N)OC

InChI

InChI=1S/C22H20N6O5S2/c1-32-13-8-7-11(9-14(13)33-2)19(30)26-17-18(23)27-21(28-20(17)31)34-10-16(29)25-22-24-12-5-3-4-6-15(12)35-22/h3-9H,10H2,1-2H3,(H,26,30)(H,24,25,29)(H3,23,27,28,31)