3-[4-azanyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carboxamide

Systemtic Name: 3-[4-azanyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carboxamide Openeye Name: 3-[4-amino-5-(2-phenyl-7-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutanecarboxamide CAS Name: 3-[4-amino-5-(2-phenyl-7-quinolinyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclobutanecarboxamide IUPAC Name: 3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carboxamide Traditional Name: 3-[4-amino-5-(2-phenyl-7-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutanecarboxamide Formula: C26H22N6O MolecularWeight: 434.49248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1N2C=C(C3=C2N=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1C(CC1N2C=C(C3=C2N=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C26H22N6O/c27-24-23-20(13-32(26(23)30-14-29-24)19-10-18(11-19)25(28)33)17-7-6-16-8-9-21(31-22(16)12-17)15-4-2-1-3-5-15/h1-9,12-14,18-19H,10-11H2,(H2,28,33)(H2,27,29,30)