4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3,5-dimethyl-1-pyrazolyl)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-6-(4-piperonylpiperazino)pyrimidine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H24N6O2/c1-15-9-16(2)27(24-15)21-11-20(22-13-23-21)26-7-5-25(6-8-26)12-17-3-4-18-19(10-17)29-14-28-18/h3-4,9-11,13H,5-8,12,14H2,1-2H3