2-[6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexylamino]purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexylamino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexylamino]purin-9-yl]acetic acid CAS Name: 2-[6-[6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]hexylamino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexylamino]purin-9-yl]acetic acid Traditional Name: 2-[6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexylamino]purin-9-yl]acetic acid Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCNC4=NC=NC5=C4N=CN5CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCNC4=NC=NC5=C4N=CN5CC(=O)O

InChI

InChI=1S/C28H30N6O4/c35-24(36)15-34-18-33-25-26(31-17-32-27(25)34)29-13-7-1-2-8-14-30-28(37)38-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-6,9-12,17-18,23H,1-2,7-8,13-16H2,(H,30,37)(H,35,36)(H,29,31,32)