4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-2-methyl-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3,5-dimethyl-1-pyrazolyl)-2-methylpyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-piperonylpiperazino)pyrimidine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O2/c1-15-10-16(2)28(25-15)22-12-21(23-17(3)24-22)27-8-6-26(7-9-27)13-18-4-5-19-20(11-18)30-14-29-19/h4-5,10-12H,6-9,13-14H2,1-3H3