2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; methanesulfonic acid
Molecular Formula:
C
17
H
22
N
4
O
5
S
InChI:
InChI=1/C16H18N4O2.CH4O3S/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;1-5(2,3)4/h1-5,10H,6-9,11-12H2;1H3,(H,2,3,4)/f/h;2H
InChIKey:
InChIKey=DEZKFCIOSKCCHK-BAUHCGJDCF
SMILES:
CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4
Names:
2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; methanesulfonic acid
Registries:
PubChem CID 198284
PubChem ID 10262767