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

Systemtic Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine Openeye Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(p-tolyl)pyrimidin-4-amine CAS Name: 2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-6-methyl-N-(4-methylphenyl)-4-pyrimidinamine IUPAC Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine Traditional Name: [2-[4-(4-butoxyphenyl)sulfonylpiperazino]-6-methyl-pyrimidin-4-yl]-(p-tolyl)amine Formula: C26H33N5O3S MolecularWeight: 495.63692

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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=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O3S/c1-4-5-18-34-23-10-12-24(13-11-23)35(32,33)31-16-14-30(15-17-31)26-27-21(3)19-25(29-26)28-22-8-6-20(2)7-9-22/h6-13,19H,4-5,14-18H2,1-3H3,(H,27,28,29)