(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: (3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: (3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: (3S)-N-[(4-ethynylphenyl)methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: (3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: (4-ethynylbenzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]amine Formula: C18H20N4 MolecularWeight: 292.3782

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)CNC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

C#CC1=CC=C(C=C1)CN[C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C18H20N4/c1-2-15-6-8-16(9-7-15)13-21-17-5-3-12-22(14-17)18-19-10-4-11-20-18/h1,4,6-11,17,21H,3,5,12-14H2/t17-/m0/s1