9-methyl-N-[4-(piperazin-1-ylmethyl)phenyl]-8-pyridin-4-yl-purin-2-amine

Systemtic Name: 9-methyl-N-[4-(piperazin-1-ylmethyl)phenyl]-8-pyridin-4-yl-purin-2-amine Openeye Name: 9-methyl-N-[4-(piperazin-1-ylmethyl)phenyl]-8-(4-pyridyl)purin-2-amine CAS Name: 9-methyl-N-[4-(1-piperazinylmethyl)phenyl]-8-pyridin-4-yl-2-purinamine IUPAC Name: 9-methyl-N-[4-(piperazin-1-ylmethyl)phenyl]-8-pyridin-4-ylpurin-2-amine Traditional Name: [9-methyl-8-(4-pyridyl)purin-2-yl]-[4-(piperazinomethyl)phenyl]amine Formula: C22H24N8 MolecularWeight: 400.47956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)NC3=CC=C(C=C3)CN4CCNCC4)C5=CC=NC=C5

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)NC3=CC=C(C=C3)CN4CCNCC4)C5=CC=NC=C5

InChI

InChI=1S/C22H24N8/c1-29-20(17-6-8-23-9-7-17)27-19-14-25-22(28-21(19)29)26-18-4-2-16(3-5-18)15-30-12-10-24-11-13-30/h2-9,14,24H,10-13,15H2,1H3,(H,25,26,28)