N-[4-methyl-3-(7H-purin-6-ylamino)phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Systemtic Name: N-[4-methyl-3-(7H-purin-6-ylamino)phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Openeye Name: N-[4-methyl-3-(7H-purin-6-ylamino)phenyl]-2-morpholino-pyridine-4-carboxamide CAS Name: N-[4-methyl-3-(7H-purin-6-ylamino)phenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-(7H-purin-6-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide Traditional Name: N-[4-methyl-3-(7H-purin-6-ylamino)phenyl]-2-morpholino-isonicotinamide Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H22N8O2/c1-14-2-3-16(11-17(14)29-21-19-20(25-12-24-19)26-13-27-21)28-22(31)15-4-5-23-18(10-15)30-6-8-32-9-7-30/h2-5,10-13H,6-9H2,1H3,(H,28,31)(H2,24,25,26,27,29)