tert-butyl (3R,4R)-3-[(5-azanyl-6-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3R,4R)-3-[(5-azanyl-6-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3R,4R)-3-[(5-amino-6-chloro-2-propylsulfanyl-pyrimidin-4-yl)amino]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: (3R,4R)-3-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-4-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4R)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: (3R,4R)-3-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H26ClN5O3S MolecularWeight: 403.92734

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=N1)Cl)N)NC2CN(CC2O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCSC1=NC(=C(C(=N1)Cl)N)N[C@@H]2CN(C[C@H]2O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H26ClN5O3S/c1-5-6-26-14-20-12(17)11(18)13(21-14)19-9-7-22(8-10(9)23)15(24)25-16(2,3)4/h9-10,23H,5-8,18H2,1-4H3,(H,19,20,21)/t9-,10-/m1/s1