2-[3-[4-(3-tert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4,6-dimethoxy-pyrimidine

Systemtic Name: 2-[3-[4-(3-tert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4,6-dimethoxy-pyrimidine Openeye Name: 2-[3-[4-(3-tert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4,6-dimethoxy-pyrimidine CAS Name: 2-[3-[4-(3-tert-butylphenyl)-1-piperazinyl]propylthio]-4,6-dimethoxypyrimidine IUPAC Name: 2-[3-[4-(3-tert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4,6-dimethoxypyrimidine Traditional Name: 2-[3-[4-(3-tert-butylphenyl)piperazino]propylthio]-4,6-dimethoxy-pyrimidine Formula: C23H34N4O2S MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)N2CCN(CC2)CCCSC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)N2CCN(CC2)CCCSC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C23H34N4O2S/c1-23(2,3)18-8-6-9-19(16-18)27-13-11-26(12-14-27)10-7-15-30-22-24-20(28-4)17-21(25-22)29-5/h6,8-9,16-17H,7,10-15H2,1-5H3