tert-butyl (3S)-3-[[[7,8-bis(4-chlorophenyl)-2-methyl-3-oxidanylidene-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[[7,8-bis(4-chlorophenyl)-2-methyl-3-oxidanylidene-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[[[7,8-bis(4-chlorophenyl)-2-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[[[7,8-bis(4-chlorophenyl)-2-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[[7,8-bis(4-chlorophenyl)-2-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[[[7,8-bis(4-chlorophenyl)-3-keto-2-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H30Cl2N6O3 MolecularWeight: 569.4822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CNC2=NC(=C(C3=NN(C(=O)N32)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H](C1)CNC2=NC(=C(C3=NN(C(=O)N32)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H30Cl2N6O3/c1-28(2,3)39-27(38)35-14-13-17(16-35)15-31-25-32-23(19-7-11-21(30)12-8-19)22(18-5-9-20(29)10-6-18)24-33-34(4)26(37)36(24)25/h5-12,17H,13-16H2,1-4H3,(H,31,32)/t17-/m0/s1