N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]-4-methylpyrimidine-5-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorobenzyl)amino]-4-methyl-pyrimidine-5-carboxamide Formula: C20H17FN4O3 MolecularWeight: 380.372383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC3=C(C=C2)OCO3)NCC4=CC=CC=C4F

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC3=C(C=C2)OCO3)NCC4=CC=CC=C4F

InChI

InChI=1S/C20H17FN4O3/c1-12-15(19(26)25-14-6-7-17-18(8-14)28-11-27-17)10-23-20(24-12)22-9-13-4-2-3-5-16(13)21/h2-8,10H,9,11H2,1H3,(H,25,26)(H,22,23,24)