tert-butyl (3S)-3-[[[7,8-bis(4-chlorophenyl)-2-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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)-2-ethyl-3-keto-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H32Cl2N6O3 MolecularWeight: 583.50878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N2C(=N1)C(=C(N=C2NCC3CCN(C3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCN1C(=O)N2C(=N1)C(=C(N=C2NC[C@@H]3CCN(C3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H32Cl2N6O3/c1-5-36-27(38)37-25(34-36)23(19-6-10-21(30)11-7-19)24(20-8-12-22(31)13-9-20)33-26(37)32-16-18-14-15-35(17-18)28(39)40-29(2,3)4/h6-13,18H,5,14-17H2,1-4H3,(H,32,33)/t18-/m0/s1