N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(piperidin-1-ylmethyl)phenyl]-5-pyrimidin-5-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(piperidin-1-ylmethyl)phenyl]-5-pyrimidin-5-yl-pyrimidine-2,4-diamine Openeye Name: N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(1-piperidylmethyl)phenyl]-5-pyrimidin-5-yl-pyrimidine-2,4-diamine CAS Name: N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-[3-(1-piperidinylmethyl)phenyl]-5-(5-pyrimidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[4-(2-diethylaminoethyloxy)phenyl]-4-N-[3-(piperidin-1-ylmethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine Traditional Name: diethyl-[2-[4-[[4-[3-(piperidinomethyl)anilino]-5-(5-pyrimidyl)pyrimidin-2-yl]amino]phenoxy]ethyl]amine Formula: C32H40N8O MolecularWeight: 552.713

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)CN4CCCCC4)C5=CN=CN=C5

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)CN4CCCCC4)C5=CN=CN=C5

InChI

InChI=1S/C32H40N8O/c1-3-39(4-2)17-18-41-29-13-11-27(12-14-29)37-32-35-22-30(26-20-33-24-34-21-26)31(38-32)36-28-10-8-9-25(19-28)23-40-15-6-5-7-16-40/h8-14,19-22,24H,3-7,15-18,23H2,1-2H3,(H2,35,36,37,38)