N2-[4-(3-piperidin-1-ylpropoxy)phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[4-(3-piperidin-1-ylpropoxy)phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: N2-[4-[3-(1-piperidyl)propoxy]phenyl]-N4-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: N2-[4-[3-(1-piperidinyl)propoxy]phenyl]-N4-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-[4-(3-piperidinopropoxy)anilino]pyrimidin-4-yl]-(3-quinolyl)amine Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)