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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C20H21N7O2/c21-18-19(25-14-4-5-15-16(11-14)29-13-28-15)23-12-24-20(18)27-9-7-26(8-10-27)17-3-1-2-6-22-17/h1-6,11-12H,7-10,13,21H2,(H,23,24,25)