5-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: 5-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-N4-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: 5-[3-methoxy-4-[3-(1-pyrrolidinyl)propyl]phenyl]-N4-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 5-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-methoxy-4-(3-pyrrolidinopropyl)phenyl]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)C2=CN=C(N=C2NC3=CC4=CC=CC=C4N=C3)N)CCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN=C(N=C2NC3=CC4=CC=CC=C4N=C3)N)CCCN5CCCC5

InChI

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