3-pyrazin-2-yl-1-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-pyrazin-2-yl-1-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-pyrazin-2-yl-1-[(3S)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(2-pyrazinyl)-1-[(3S)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-pyrazin-2-yl-1-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-pyrazin-2-yl-1-[(3S)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidino]propan-1-one Formula: C20H26N6O MolecularWeight: 366.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(C2)C(=O)CCC3=NC=CN=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(C[C@@H]1C2CCN(CC2)C3=NC=CC=N3)C(=O)CCC4=NC=CN=C4

InChI

InChI=1S/C20H26N6O/c27-19(3-2-18-14-21-9-10-22-18)26-13-6-17(15-26)16-4-11-25(12-5-16)20-23-7-1-8-24-20/h1,7-10,14,16-17H,2-6,11-13,15H2/t17-/m1/s1