2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluoro-phenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluorophenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C20H16ClFN4O3 MolecularWeight: 414.817443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)F)Cl)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)F)Cl)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16ClFN4O3/c1-11-14(19(27)26-13-3-4-16(22)15(21)7-13)9-24-20(25-11)23-8-12-2-5-17-18(6-12)29-10-28-17/h2-7,9H,8,10H2,1H3,(H,26,27)(H,23,24,25)