Catalog Number:
AG0000ZR
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester
CAS Number:
1001180-45-5
Molecular Formula:
C17H26N4O3
Molecular Weight:
334.4133
IUPAC Name:
(2R)-2-(4-chloro-3-fluorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-[(4-methoxycyclohexyl)amino]propan-1-one
InChI:
InChI=1S/C28H37ClFN5O3/c1-17-13-24(36)26-25(17)27(33-16-32-26)34-9-11-35(12-10-34)28(37)21(18-3-8-22(29)23(30)14-18)15-31-19-4-6-20(38-2)7-5-19/h3,8,14,16-17,19-21,24,31,36H,4-7,9-13,15H2,1-2H3/t17-,19?,20?,21+,24-/m1/s1
InChI Key:
XYOUBZSWKDRAAH-NGKGKBKGSA-N
SMILES:
C[C@@H]1C[C@H](c2c1c(ncn2)N1CCN(CC1)C(=O)OC(C)(C)C)O