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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(4-ethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(4-ethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-(4-ethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N6O2/c1-2-17-3-6-19(7-4-17)28-23-22(25)24(27-15-26-23)30-11-9-29(10-12-30)14-18-5-8-20-21(13-18)32-16-31-20/h3-8,13,15H,2,9-12,14,16,25H2,1H3,(H,26,27,28)