(5Z)-5-[[6-[[(1R)-1-(furan-2-yl)-2,2-dimethyl-propyl]amino]-1,3-dihydro-[1,2,5]thiadiazolo[3,4-b]pyrazin-5-yl]imino]-N,N-dimethyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: (5Z)-5-[[6-[[(1R)-1-(furan-2-yl)-2,2-dimethyl-propyl]amino]-1,3-dihydro-[1,2,5]thiadiazolo[3,4-b]pyrazin-5-yl]imino]-N,N-dimethyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: (5Z)-5-[[6-[[(1R)-1-(2-furyl)-2,2-dimethyl-propyl]amino]-1,3-dihydro-[1,2,5]thiadiazolo[3,4-b]pyrazin-5-yl]imino]-N,N-dimethyl-6-oxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: (5Z)-5-[[6-[[(1R)-1-(2-furanyl)-2,2-dimethylpropyl]amino]-1,3-dihydro-[1,2,5]thiadiazolo[3,4-b]pyrazin-5-yl]imino]-N,N-dimethyl-6-oxo-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: (5Z)-5-[[6-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,3-dihydro-[1,2,5]thiadiazolo[3,4-b]pyrazin-5-yl]imino]-N,N-dimethyl-6-oxocyclohexa-1,3-diene-1-carboxamide Traditional Name: (5Z)-5-[[6-[[(1R)-1-(2-furyl)-2,2-dimethyl-propyl]amino]-1,3-dihydro-[1,2,5]thiadiazolo[3,4-b]pyrazin-5-yl]imino]-6-keto-N,N-dimethyl-cyclohexa-1,3-diene-1-carboxamide Formula: C22H25N7O3S MolecularWeight: 467.544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=CO1)NC2=C(N=C3C(=N2)NSN3)N=C4C=CC=C(C4=O)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)[C@H](C1=CC=CO1)NC2=C(N=C3C(=N2)NSN3)/N=C\4/C=CC=C(C4=O)C(=O)N(C)C

InChI

InChI=1S/C22H25N7O3S/c1-22(2,3)16(14-10-7-11-32-14)24-18-17(25-19-20(26-18)28-33-27-19)23-13-9-6-8-12(15(13)30)21(31)29(4)5/h6-11,16H,1-5H3,(H,25,27)(H2,24,26,28)/b23-13-/t16-/m0/s1