2-chloranyl-5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-N-methyl-benzamide

Systemtic Name: 2-chloranyl-5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-N-methyl-benzamide Openeye Name: 2-chloro-5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-N-methyl-benzamide CAS Name: 2-chloro-5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-2-pyrimidinyl]amino]-N-methylbenzamide IUPAC Name: 2-chloro-5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoropyrimidin-2-yl]amino]-N-methylbenzamide Traditional Name: 2-chloro-5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-N-methyl-benzamide Formula: C20H17ClFN5O3 MolecularWeight: 429.832083

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(CCOO4)C=C3)F)Cl

Isomeric SMILES

CNC(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(CCOO4)C=C3)F)Cl

InChI

InChI=1S/C20H17ClFN5O3/c1-23-19(28)14-8-12(4-5-15(14)21)26-20-24-10-16(22)18(27-20)25-13-3-2-11-6-7-29-30-17(11)9-13/h2-5,8-10H,6-7H2,1H3,(H,23,28)(H2,24,25,26,27)