2-phenyl-4-[[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]pyrimidine-5-carboxamide

Systemtic Name: 2-phenyl-4-[[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]pyrimidine-5-carboxamide Openeye Name: 2-phenyl-4-[[2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]pyrimidine-5-carboxamide CAS Name: 2-phenyl-4-[[2-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]amino]-5-pyrimidinecarboxamide IUPAC Name: 2-phenyl-4-[[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]pyrimidine-5-carboxamide Traditional Name: 2-phenyl-4-[[2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]pyrimidine-5-carboxamide Formula: C22H20N8O MolecularWeight: 412.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=N2)NC3=NC(=NC=C3)NCCC4=CN=CC=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=N2)NC3=NC(=NC=C3)NCCC4=CN=CC=C4)C(=O)N

InChI

InChI=1S/C22H20N8O/c23-19(31)17-14-27-20(16-6-2-1-3-7-16)30-21(17)28-18-9-12-26-22(29-18)25-11-8-15-5-4-10-24-13-15/h1-7,9-10,12-14H,8,11H2,(H2,23,31)(H2,25,26,27,28,29,30)