N1-[3-(propan-2-ylamino)propyl]-N4-(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)benzene-1,4-diamine

Systemtic Name: N1-[3-(propan-2-ylamino)propyl]-N4-(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)benzene-1,4-diamine Openeye Name: N1-[3-(isopropylamino)propyl]-N4-[7-(2-pyridyl)pyrrolo[2,3-d]pyrimidin-2-yl]benzene-1,4-diamine CAS Name: N1-[3-(propan-2-ylamino)propyl]-N4-[7-(2-pyridinyl)-2-pyrrolo[2,3-d]pyrimidinyl]benzene-1,4-diamine IUPAC Name: 1-N-[3-(propan-2-ylamino)propyl]-4-N-(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)benzene-1,4-diamine Traditional Name: isopropyl-[3-[4-[[7-(2-pyridyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]anilino]propyl]amine Formula: C23H27N7 MolecularWeight: 401.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCNC1=CC=C(C=C1)NC2=NC=C3C=CN(C3=N2)C4=CC=CC=N4

Isomeric SMILES

CC(C)NCCCNC1=CC=C(C=C1)NC2=NC=C3C=CN(C3=N2)C4=CC=CC=N4

InChI

InChI=1S/C23H27N7/c1-17(2)24-13-5-14-25-19-7-9-20(10-8-19)28-23-27-16-18-11-15-30(22(18)29-23)21-6-3-4-12-26-21/h3-4,6-12,15-17,24-25H,5,13-14H2,1-2H3,(H,27,28,29)