Catalog Number:
AG002DHH
Chemical Name:
1H-Purine-2,6-dione, 7-[2-(benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-3,7-dihydro-1,3-dimethyl-
CAS Number:
20153-86-0
Molecular Formula:
C29H34N6O4
Molecular Weight:
530.6181
IUPAC Name:
[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl] benzoate
InChI:
InChI=1S/C29H34N6O4/c1-31-26-25(27(36)32(2)29(31)38)35(21-30-26)20-24(39-28(37)23-11-7-4-8-12-23)19-34-17-15-33(16-18-34)14-13-22-9-5-3-6-10-22/h3-12,21,24H,13-20H2,1-2H3
InChI Key:
LJKXRHPJYNFFRM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)CN1CCN(CC1)CCc1ccccc1