N2-(4-ethoxyphenyl)-6-[(4-phenethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(4-ethoxyphenyl)-6-[(4-phenethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-ethoxyphenyl)-6-[(4-phenethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-ethoxyphenyl)-6-[(4-phenethyl-1-piperazinyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-ethoxyphenyl)-6-[(4-phenethylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenethylpiperazino)methyl]-s-triazin-2-yl]-p-phenetyl-amine Formula: C24H31N7O MolecularWeight: 433.54924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H31N7O/c1-2-32-21-10-8-20(9-11-21)26-24-28-22(27-23(25)29-24)18-31-16-14-30(15-17-31)13-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H3,25,26,27,28,29)