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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-4-methylpyrimidine-5-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(2-fluorobenzyl)amino]-4-methyl-pyrimidine-5-carboxamide Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)OC)OC)NCC3=CC=CC=C3F

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)OC)OC)NCC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O3/c1-13-16(20(27)26-15-8-9-18(28-2)19(10-15)29-3)12-24-21(25-13)23-11-14-6-4-5-7-17(14)22/h4-10,12H,11H2,1-3H3,(H,26,27)(H,23,24,25)