N6-(3-chloranyl-4-ethoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N6-(3-chloranyl-4-ethoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-(3-chloro-4-ethoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-(3-chloro-4-ethoxyphenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methyl-4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-(3-chloro-4-ethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-chloro-4-ethoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C25H38ClN7O MolecularWeight: 488.06852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(C)C3CCN(CC3)C)NC4CCCCCC4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(C)C3CCN(CC3)C)NC4CCCCCC4)Cl

InChI

InChI=1S/C25H38ClN7O/c1-4-34-22-12-11-19(17-21(22)26)28-24-29-23(27-18-9-7-5-6-8-10-18)30-25(31-24)33(3)20-13-15-32(2)16-14-20/h11-12,17-18,20H,4-10,13-16H2,1-3H3,(H2,27,28,29,30,31)