N2-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: N2-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-N4-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: N2-[3-methoxy-4-[3-(1-pyrrolidinyl)propyl]phenyl]-N4-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-[3-methoxy-4-(3-pyrrolidinopropyl)anilino]pyrimidin-4-yl]-(3-quinolyl)amine Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)CCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)CCCN5CCCC5

InChI

InChI=1S/C27H30N6O/c1-34-25-18-22(11-10-20(25)8-6-16-33-14-4-5-15-33)31-27-28-13-12-26(32-27)30-23-17-21-7-2-3-9-24(21)29-19-23/h2-3,7,9-13,17-19H,4-6,8,14-16H2,1H3,(H2,28,30,31,32)