[4-(3-pyrimidin-5-ylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-(3-pyrimidin-5-ylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Openeye Name: [4-(3-pyrimidin-5-ylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methanamine CAS Name: [4-[3-(5-pyrimidinyl)phenyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]methanamine IUPAC Name: [4-(3-pyrimidin-5-ylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Traditional Name: [4-[3-(5-pyrimidyl)phenyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methylamine Formula: C22H23N7 MolecularWeight: 385.46492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN)C2=CC=CC(=C2)C3=CN=CN=C3)C4=NC=NC5=C4C=CN5

Isomeric SMILES

C1CN(CCC1(CN)C2=CC=CC(=C2)C3=CN=CN=C3)C4=NC=NC5=C4C=CN5

InChI

InChI=1S/C22H23N7/c23-13-22(18-3-1-2-16(10-18)17-11-24-14-25-12-17)5-8-29(9-6-22)21-19-4-7-26-20(19)27-15-28-21/h1-4,7,10-12,14-15H,5-6,8-9,13,23H2,(H,26,27,28)