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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylamino]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylamino]-4-methylpyrimidine-5-carboxamide Traditional Name: 2-[(2-fluorobenzyl)amino]-4-methyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NCC4=CC=CC=C4F

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NCC4=CC=CC=C4F

InChI

InChI=1S/C21H19FN4O3/c1-13-16(11-25-21(26-13)24-10-15-4-2-3-5-17(15)22)20(27)23-9-14-6-7-18-19(8-14)29-12-28-18/h2-8,11H,9-10,12H2,1H3,(H,23,27)(H,24,25,26)