N-[2-[[7-(oxidanylamino)-7-oxidanylidene-heptyl]amino]ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide

Systemtic Name: N-[2-[[7-(oxidanylamino)-7-oxidanylidene-heptyl]amino]ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide Openeye Name: N-[2-[[7-(hydroxyamino)-7-oxo-heptyl]amino]ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide CAS Name: N-[2-[[7-(hydroxyamino)-7-oxoheptyl]amino]ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide IUPAC Name: N-[2-[[7-(hydroxyamino)-7-oxoheptyl]amino]ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide Traditional Name: N-[2-[[7-(hydroxyamino)-7-keto-heptyl]amino]ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide Formula: C30H37N7O3 MolecularWeight: 543.65988

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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)C(=O)NCCNCCCCCCC(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C30H37N7O3/c1-21(22-9-5-4-6-10-22)35-28-25-19-26(36-29(25)34-20-33-28)23-12-14-24(15-13-23)30(39)32-18-17-31-16-8-3-2-7-11-27(38)37-40/h4-6,9-10,12-15,19-21,31,40H,2-3,7-8,11,16-18H2,1H3,(H,32,39)(H,37,38)(H2,33,34,35,36)/t21-/m1/s1