N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-piperonyl-amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H23N7O2/c22-19-20(24-12-15-4-5-16-17(11-15)30-14-29-16)25-13-26-21(19)28-9-7-27(8-10-28)18-3-1-2-6-23-18/h1-6,11,13H,7-10,12,14,22H2,(H,24,25,26)