3-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-pyrimidin-4-yl]oxybenzenecarbonitrile

Systemtic Name: 3-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 3-[6-(2-aminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]oxybenzonitrile CAS Name: 3-[[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxybenzonitrile Traditional Name: 3-[6-(2-aminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]oxybenzonitrile Formula: C19H17N7O2 MolecularWeight: 375.38398

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CC(=N2)OC3=CC=CC(=C3)C#N)C4=CN=C(N=C4)N

Isomeric SMILES

C1COCCN1C2=NC(=CC(=N2)OC3=CC=CC(=C3)C#N)C4=CN=C(N=C4)N

InChI

InChI=1S/C19H17N7O2/c20-10-13-2-1-3-15(8-13)28-17-9-16(14-11-22-18(21)23-12-14)24-19(25-17)26-4-6-27-7-5-26/h1-3,8-9,11-12H,4-7H2,(H2,21,22,23)