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

Systemtic Name: N4-(4-ethylphenyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(4-ethylphenyl)pyrimidine-4,5-diamine CAS Name: N4-(4-ethylphenyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C23H28N6 MolecularWeight: 388.50862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6/c1-2-18-8-10-20(11-9-18)27-22-21(24)23(26-17-25-22)29-14-12-28(13-15-29)16-19-6-4-3-5-7-19/h3-11,17H,2,12-16,24H2,1H3,(H,25,26,27)