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

Systemtic Name: 2-azanyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-6-propan-2-yl-pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidyl]-6-isopropyl-N-methyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidinyl]-N-methyl-6-propan-2-yl-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(2-fluorobenzyl)-3-piperidyl]-6-isopropyl-N-methyl-pyrimidine-4-carboxamide Formula: C21H28FN5O MolecularWeight: 385.478323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C(=O)N(C)C2CCCN(C2)CC3=CC=CC=C3F)N

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C(=O)N(C)[C@H]2CCCN(C2)CC3=CC=CC=C3F)N

InChI

InChI=1S/C21H28FN5O/c1-14(2)18-11-19(25-21(23)24-18)20(28)26(3)16-8-6-10-27(13-16)12-15-7-4-5-9-17(15)22/h4-5,7,9,11,14,16H,6,8,10,12-13H2,1-3H3,(H2,23,24,25)/t16-/m0/s1