N-oxidanyl-8-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]octanamide

Systemtic Name: N-oxidanyl-8-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]octanamide Openeye Name: 8-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]octanehydroxamic acid CAS Name: N-hydroxy-8-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]octanamide IUPAC Name: N-hydroxy-8-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]octanamide Traditional Name: 8-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzyl]amino]octanehydroxamic acid Formula: C29H36N6O2 MolecularWeight: 500.63514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CNCCCCCCCC(=O)NO

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CNCCCCCCCC(=O)NO

InChI

InChI=1S/C29H36N6O2/c1-21(23-10-6-5-7-11-23)33-28-25-18-26(34-29(25)32-20-31-28)24-15-13-22(14-16-24)19-30-17-9-4-2-3-8-12-27(36)35-37/h5-7,10-11,13-16,18,20-21,30,37H,2-4,8-9,12,17,19H2,1H3,(H,35,36)(H2,31,32,33,34)/t21-/m1/s1