2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenyl-pyrimidin-4-amine

Systemtic Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenyl-pyrimidin-4-amine Openeye Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenyl-pyrimidin-4-amine CAS Name: 2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-6-methyl-N-phenyl-4-pyrimidinamine IUPAC Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine Traditional Name: [2-[4-(4-butoxyphenyl)sulfonylpiperazino]-6-methyl-pyrimidin-4-yl]-phenyl-amine Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N5O3S/c1-3-4-18-33-22-10-12-23(13-11-22)34(31,32)30-16-14-29(15-17-30)25-26-20(2)19-24(28-25)27-21-8-6-5-7-9-21/h5-13,19H,3-4,14-18H2,1-2H3,(H,26,27,28)