N4-(1,3-benzodioxol-5-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2-fluorophenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H21FN6O2/c22-15-3-1-2-4-16(15)27-7-9-28(10-8-27)21-19(23)20(24-12-25-21)26-14-5-6-17-18(11-14)30-13-29-17/h1-6,11-12H,7-10,13,23H2,(H,24,25,26)