2,4-diamino-6-ethyl-5,3'-(2-cyclohexylphenoxy)prop-1'-yloxypyrimidine

Properties Image MNX_ID MNXM34500 reference metacycM:CPD0-1584 formula C23H32N4O3 global charge 0 mol weight 412.534 InChIKey GKVIGLISMFSOPU-UHFFFAOYSA-N InChI InChI=1S/C23H32N4O3/c1-3-19-21(22(24)27-23(25)26-19)30-14-6-13-29-20-8-5-4-7-18(20)17-11-9-16(10-12-17)15(2)28/h4-5,7-8,16-17H,3,6,9-14H2,1-2H3,(H4,24,25,26,27) SMILES CCC1=NC(N)=NC(N)=C1OCCCOC1=C(C2CCC(C(C)=O)CC2)C=CC=C1 MNX internals InChI (mnx) InChI=1/C23H32N4O3/c1-3-19-21(22(24)27-23(25)26-19)30-14-6-13-29-20-8-5-4-7-18(20)17-11-9-16(10-12-17)15(2)28/h4-5,7-8,16-17H,3,6,9-14H2,1-2H3,(H4,24,25,26,27)/t16?,17? SMILES (mnx) [CH3:1][CH2:3][C:19]1=[C:21]([O:30][CH2:14][CH2:6][CH2:13][O:29][C:20]2=[CH:8][CH:5]=[CH:4][CH:7]=[C:18]2[CH:17]2[CH2:11][CH2:9][CH:16]([C:15]([CH3:2])=[O:28])[CH2:10][CH2:12]2)[C:22](=[NH:24])[NH:27][C:23](=[NH:25])[NH:26]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0