1-[4-azanyl-5-(4-methylphenyl)-7-[3-(prop-2-ynylamino)propyl]pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoranyl-ethanone

Systemtic Name: 1-[4-azanyl-5-(4-methylphenyl)-7-[3-(prop-2-ynylamino)propyl]pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoranyl-ethanone Openeye Name: 1-[4-amino-7-[3-(prop-2-ynylamino)propyl]-5-(p-tolyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro-ethanone CAS Name: 1-[4-amino-5-(4-methylphenyl)-7-[3-(prop-2-ynylamino)propyl]-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone IUPAC Name: 1-[4-amino-5-(4-methylphenyl)-7-[3-(prop-2-ynylamino)propyl]pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone Traditional Name: 1-[4-amino-7-[3-(propargylamino)propyl]-5-(p-tolyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro-ethanone Formula: C21H22FN5O MolecularWeight: 379.430683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C3=C2C(=NC=N3)N)CCCNCC#C)C(=O)CF

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C3=C2C(=NC=N3)N)CCCNCC#C)C(=O)CF

InChI

InChI=1S/C21H22FN5O/c1-3-9-24-10-4-11-27-19(16(28)12-22)17(15-7-5-14(2)6-8-15)18-20(23)25-13-26-21(18)27/h1,5-8,13,24H,4,9-12H2,2H3,(H2,23,25,26)