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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(4-butylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(4-butylphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-(4-butylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-(4-butylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C26H32N6O2 MolecularWeight: 460.57128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H32N6O2/c1-2-3-4-19-5-8-21(9-6-19)30-25-24(27)26(29-17-28-25)32-13-11-31(12-14-32)16-20-7-10-22-23(15-20)34-18-33-22/h5-10,15,17H,2-4,11-14,16,18,27H2,1H3,(H,28,29,30)