N-cyclopropyl-4-[[2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-cyclopropyl-4-[[2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzamide Openeye Name: N-cyclopropyl-4-[[2-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)amino]-5-fluoro-pyrimidin-4-yl]amino]benzamide CAS Name: N-cyclopropyl-4-[[2-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)amino]-5-fluoro-4-pyrimidinyl]amino]benzamide IUPAC Name: N-cyclopropyl-4-[[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide Traditional Name: N-cyclopropyl-4-[[5-fluoro-2-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]benzamide Formula: C23H22FN7O2 MolecularWeight: 447.464883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5CC5)F)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5CC5)F)N(C1=O)C

InChI

InChI=1S/C23H22FN7O2/c1-30-18-10-9-16(11-19(18)31(2)23(30)33)28-22-25-12-17(24)20(29-22)26-14-5-3-13(4-6-14)21(32)27-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,27,32)(H2,25,26,28,29)