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

Systemtic Name: N-oxidanyl-4-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]carbamoylamino]benzamide Openeye Name: 1-[4-(hydroxycarbamoyl)phenyl]-3-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]urea CAS Name: N-hydroxy-4-[[oxo-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]anilino]methyl]amino]benzamide IUPAC Name: N-hydroxy-4-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]carbamoylamino]benzamide Traditional Name: 1-[4-(hydroxycarbamoyl)phenyl]-3-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]urea Formula: C28H25N7O3 MolecularWeight: 507.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(=O)NO

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(=O)NO

InChI

InChI=1S/C28H25N7O3/c1-17(18-5-3-2-4-6-18)31-25-23-15-24(34-26(23)30-16-29-25)19-7-11-21(12-8-19)32-28(37)33-22-13-9-20(10-14-22)27(36)35-38/h2-17,38H,1H3,(H,35,36)(H2,32,33,37)(H2,29,30,31,34)/t17-/m1/s1