IUPAC: 1-[1-[6-(2,2-diphenylethylamino)-9-[4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea

SMILES: CCc1nnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)NCc6ccccn6)C5)nc43)C(O)C2O)n1

Canonical SMILES: CCC1=NN(N=N1)C2CC(C(C2O)O)N3C=NC4=C(N=C(N=C43)N5CCC(C5)NC(=O)NCC6=CC=CC=N6)NCC(C7=CC=CC=C7)C8=CC=CC=C8

Summenformel: C38H43N13O3

Molare Masse: 729.80

InChIKey: NNOLGDIDPOMQCV-UHFFFAOYSA-N

InChI:

InChI=1S/C38H43N13O3/c1-2-31-46-48-51(47-31)30-19-29(33(52)34(30)53)50-23-42-32-35(40-21-28(24-11-5-3-6-12-24)25-13-7-4-8-14-25)44-37(45-36(32)50)49-18-16-27(22-49)43-38(54)41-20-26-15-9-10-17-39-26/h3-15,17,23,27-30,33-34,52-53H,2,16,18-22H2,1H3,(H,40,44,45)(H2,41,43,54)

PubChem CID: 73020277 →

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