2-[(3S,5S)-4-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-piperazin-1-yl]pyrimidine

Systemtic Name: 2-[(3S,5S)-4-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-piperazin-1-yl]pyrimidine Openeye Name: 2-[(3S,5S)-4-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-piperazin-1-yl]pyrimidine CAS Name: 2-[(3S,5S)-4-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-piperazinyl]pyrimidine IUPAC Name: 2-[(3S,5S)-4-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethylpiperazin-1-yl]pyrimidine Traditional Name: 2-[(3S,5S)-3,5-dimethyl-4-piperonyl-piperazino]pyrimidine Formula: C18H22N4O2 MolecularWeight: 326.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CC2=CC3=C(C=C2)OCO3)C)C4=NC=CC=N4

Isomeric SMILES

C[C@H]1CN(C[C@@H](N1CC2=CC3=C(C=C2)OCO3)C)C4=NC=CC=N4

InChI

InChI=1S/C18H22N4O2/c1-13-9-21(18-19-6-3-7-20-18)10-14(2)22(13)11-15-4-5-16-17(8-15)24-12-23-16/h3-8,13-14H,9-12H2,1-2H3/t13-,14-/m0/s1