2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine

Systemtic Name: 2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine Openeye Name: 2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine CAS Name: 2-[3-[4-(3,5-ditert-butylphenyl)-1-piperazinyl]propylthio]-4-pyrimidinamine IUPAC Name: 2-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine Traditional Name: [2-[3-[4-(3,5-ditert-butylphenyl)piperazino]propylthio]pyrimidin-4-yl]amine Formula: C25H39N5S MolecularWeight: 441.67566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N5S/c1-24(2,3)19-16-20(25(4,5)6)18-21(17-19)30-13-11-29(12-14-30)10-7-15-31-23-27-9-8-22(26)28-23/h8-9,16-18H,7,10-15H2,1-6H3,(H2,26,27,28)