6-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 6-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 6-[4-[2-(4-methyl-1-piperazinyl)ethyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: 6-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [6-[4-[2-(4-methylpiperazino)ethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-[(1S)-1-phenylethyl]amine Formula: C27H32N6 MolecularWeight: 440.58318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CCN5CCN(CC5)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CCN5CCN(CC5)C

InChI

InChI=1S/C27H32N6/c1-20(22-6-4-3-5-7-22)30-26-24-18-25(31-27(24)29-19-28-26)23-10-8-21(9-11-23)12-13-33-16-14-32(2)15-17-33/h3-11,18-20H,12-17H2,1-2H3,(H2,28,29,30,31)/t20-/m0/s1