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

Systemtic Name: N-[6-azanyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C22H20N6O3S2 MolecularWeight: 480.5626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)N

InChI

InChI=1S/C22H20N6O3S2/c1-11-3-6-13(7-4-11)19(30)26-17-18(23)27-21(28-20(17)31)32-10-16(29)25-22-24-14-8-5-12(2)9-15(14)33-22/h3-9H,10H2,1-2H3,(H,26,30)(H,24,25,29)(H3,23,27,28,31)