5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-N4-propyl-N2-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-N4-propyl-N2-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine Openeye Name: 5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-N4-propyl-N2-[2-(4-pyridyl)ethyl]pyrimidine-2,4-diamine CAS Name: 5-[5-(1-piperazinylmethyl)-1,3,4-oxadiazol-2-yl]-N4-propyl-N2-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine Traditional Name: [5-[5-(piperazinomethyl)-1,3,4-oxadiazol-2-yl]-4-(propylamino)pyrimidin-2-yl]-[2-(4-pyridyl)ethyl]amine Formula: C21H29N9O MolecularWeight: 423.51466

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC=C1C2=NN=C(O2)CN3CCNCC3)NCCC4=CC=NC=C4

Isomeric SMILES

CCCNC1=NC(=NC=C1C2=NN=C(O2)CN3CCNCC3)NCCC4=CC=NC=C4

InChI

InChI=1S/C21H29N9O/c1-2-6-24-19-17(20-29-28-18(31-20)15-30-12-10-23-11-13-30)14-26-21(27-19)25-9-5-16-3-7-22-8-4-16/h3-4,7-8,14,23H,2,5-6,9-13,15H2,1H3,(H2,24,25,26,27)