6-[4-(phenylmethyl)piperazin-1-yl]-N4-pyridin-4-yl-pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(phenylmethyl)piperazin-1-yl]-N4-pyridin-4-yl-pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(4-pyridyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(phenylmethyl)-1-piperazinyl]-N4-pyridin-4-ylpyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-pyridin-4-ylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C20H23N7 MolecularWeight: 361.44352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=NC=C4)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=NC=C4)N

InChI

InChI=1S/C20H23N7/c21-18-19(25-17-6-8-22-9-7-17)23-15-24-20(18)27-12-10-26(11-13-27)14-16-4-2-1-3-5-16/h1-9,15H,10-14,21H2,(H,22,23,24,25)