4-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

Systemtic Name: 4-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine Openeye Name: 4-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine CAS Name: 4-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinamine IUPAC Name: 4-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine Traditional Name: [4-(3-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]amine Formula: C18H20ClN5 MolecularWeight: 341.8379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC(=CC=C2)Cl)N)C3=NC=NC4=C3C=CN4

Isomeric SMILES

C1CN(CCC1(CC2=CC(=CC=C2)Cl)N)C3=NC=NC4=C3C=CN4

InChI

InChI=1S/C18H20ClN5/c19-14-3-1-2-13(10-14)11-18(20)5-8-24(9-6-18)17-15-4-7-21-16(15)22-12-23-17/h1-4,7,10,12H,5-6,8-9,11,20H2,(H,21,22,23)