6-ethyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-(4-phenyl-1-piperazinyl)pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C16H22N6 MolecularWeight: 298.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N6/c1-2-13-14(15(17)20-16(18)19-13)22-10-8-21(9-11-22)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H4,17,18,19,20)