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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3,5-dimethyl-1-pyrazolyl)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-piperonylpiperazino)pyrimidine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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