6-[4-(phenylmethyl)piperidin-1-yl]-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(phenylmethyl)piperidin-1-yl]-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(phenylmethyl)-1-piperidinyl]-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperidino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H26N6 MolecularWeight: 374.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C22H26N6/c23-20-21(25-15-19-7-4-10-24-14-19)26-16-27-22(20)28-11-8-18(9-12-28)13-17-5-2-1-3-6-17/h1-7,10,14,16,18H,8-9,11-13,15,23H2,(H,25,26,27)