2-azanyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-6-methyl-pyrimidine-4-carboxamide

Systemtic Name: 2-azanyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-6-methyl-pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[1-[(2-fluorophenyl)methyl]-3-piperidyl]-6-methyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[1-[(2-fluorophenyl)methyl]-3-piperidinyl]-6-methyl-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-6-methylpyrimidine-4-carboxamide Traditional Name: 2-amino-N-[1-(2-fluorobenzyl)-3-piperidyl]-6-methyl-pyrimidine-4-carboxamide Formula: C18H22FN5O MolecularWeight: 343.398583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NC2CCCN(C2)CC3=CC=CC=C3F)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)NC2CCCN(C2)CC3=CC=CC=C3F)N

InChI

InChI=1S/C18H22FN5O/c1-12-9-16(23-18(20)21-12)17(25)22-14-6-4-8-24(11-14)10-13-5-2-3-7-15(13)19/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,22,25)(H2,20,21,23)