[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-thiomorpholin-4-yl-methanone

Systemtic Name: [3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-thiomorpholin-4-yl-methanone Openeye Name: [3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-thiomorpholino-methanone CAS Name: [3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]phenyl]-thiomorpholin-4-ylmethanone IUPAC Name: [3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-thiomorpholin-4-ylmethanone Traditional Name: [3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-thiomorpholino-methanone Formula: C17H18N6OS MolecularWeight: 354.42942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)N4CCSCC4

InChI

InChI=1S/C17H18N6OS/c1-22-16-14(10-20-22)15(18-11-19-16)21-13-4-2-3-12(9-13)17(24)23-5-7-25-8-6-23/h2-4,9-11H,5-8H2,1H3,(H,18,19,21)