2-[(4-morpholin-4-ylphenyl)amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: 2-[(4-morpholin-4-ylphenyl)amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: 7-(1-ethylpropyl)-2-(4-morpholinoanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: 2-[4-(4-morpholinyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: 2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: 7-(1-ethylpropyl)-2-(4-morpholinoanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=O)CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCC(CC)N1C(=O)CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H27N5O2/c1-3-17(4-2)26-19(27)13-15-14-22-21(24-20(15)26)23-16-5-7-18(8-6-16)25-9-11-28-12-10-25/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,22,23,24)