[3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] hydrogen carbonate

Systemtic Name: [3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] hydrogen carbonate Openeye Name: [3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-(4-morpholinyl)-6-(3-pyridinylamino)-4-pyrimidinyl]phenyl] ester IUPAC Name: [3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]phenyl] ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CC(=N2)NC3=CN=CC=C3)C4=CC(=CC=C4)OC(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=CC(=N2)NC3=CN=CC=C3)C4=CC(=CC=C4)OC(=O)O

InChI

InChI=1S/C20H19N5O4/c26-20(27)29-16-5-1-3-14(11-16)17-12-18(22-15-4-2-6-21-13-15)24-19(23-17)25-7-9-28-10-8-25/h1-6,11-13H,7-10H2,(H,26,27)(H,22,23,24)