3-[4-[4-(3-pyrrol-1-ylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]pentan-3-ol

Systemtic Name: 3-[4-[4-(3-pyrrol-1-ylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]pentan-3-ol Openeye Name: 3-[4-[4-(3-pyrrol-1-ylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]pentan-3-ol CAS Name: 3-[4-[4-[3-(1-pyrrolyl)propylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-pentanol IUPAC Name: 3-[4-[4-(3-pyrrol-1-ylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]pentan-3-ol Traditional Name: 3-[4-[4-(3-pyrrol-1-ylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]pentan-3-ol Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3NCCCN4C=CC=C4)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3NCCCN4C=CC=C4)O

InChI

InChI=1S/C24H29N5O/c1-3-24(30,4-2)19-10-8-18(9-11-19)21-16-20-22(26-17-27-23(20)28-21)25-12-7-15-29-13-5-6-14-29/h5-6,8-11,13-14,16-17,30H,3-4,7,12,15H2,1-2H3,(H2,25,26,27,28)