tert-butyl N-[3-methyl-1-[6-[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]carbamate

Systemtic Name: tert-butyl N-[3-methyl-1-[6-[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]carbamate Openeye Name: tert-butyl N-[3-methyl-1-[6-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]carbamate CAS Name: N-[3-methyl-1-[6-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-methyl-1-[6-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]carbamate Traditional Name: N-[1-[6-[(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C19H27N7O4S2 MolecularWeight: 481.59218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)CSC2=NN3C(=NN=C3S2)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)CSC2=NN3C(=NN=C3S2)C(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H27N7O4S2/c1-9(2)7-12(21-17(29)30-19(4,5)6)13-23-24-16-26(13)25-18(32-16)31-8-11-10(3)20-15(28)22-14(11)27/h9,12H,7-8H2,1-6H3,(H,21,29)(H2,20,22,27,28)