1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-[(3-methylphenyl)methyl]urea

Systemtic Name: 1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-[(3-methylphenyl)methyl]urea Openeye Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(m-tolylmethyl)urea CAS Name: 1-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-3-[(3-methylphenyl)methyl]urea IUPAC Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-3-[(3-methylphenyl)methyl]urea Traditional Name: 1-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(3-methylbenzyl)urea Formula: C32H39FN8O MolecularWeight: 570.703463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)NC2=C(C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C)F

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)NC2=C(C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C)F

InChI

InChI=1S/C32H39FN8O/c1-21-4-3-5-22(16-21)18-35-32(42)38-28-11-6-23(17-27(28)33)26-19-41(31-29(26)30(34)36-20-37-31)25-9-7-24(8-10-25)40-14-12-39(2)13-15-40/h3-6,11,16-17,19-20,24-25H,7-10,12-15,18H2,1-2H3,(H2,34,36,37)(H2,35,38,42)