5-[6-[3-(dimethylaminomethyl)phenyl]-2-morpholin-4-yl-pyrimidin-4-yl]pyrimidin-2-amine

Systemtic Name: 5-[6-[3-(dimethylaminomethyl)phenyl]-2-morpholin-4-yl-pyrimidin-4-yl]pyrimidin-2-amine Openeye Name: 5-[6-[3-(dimethylaminomethyl)phenyl]-2-morpholino-pyrimidin-4-yl]pyrimidin-2-amine CAS Name: 5-[6-[3-(dimethylaminomethyl)phenyl]-2-(4-morpholinyl)-4-pyrimidinyl]-2-pyrimidinamine IUPAC Name: 5-[6-[3-(dimethylaminomethyl)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine Traditional Name: [3-[6-(2-aminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]benzyl]-dimethyl-amine Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)C4=CN=C(N=C4)N

Isomeric SMILES

CN(C)CC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)C4=CN=C(N=C4)N

InChI

InChI=1S/C21H25N7O/c1-27(2)14-15-4-3-5-16(10-15)18-11-19(17-12-23-20(22)24-13-17)26-21(25-18)28-6-8-29-9-7-28/h3-5,10-13H,6-9,14H2,1-2H3,(H2,22,23,24)