2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine

Systemtic Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine Openeye Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine CAS Name: 2-[4-(5-tert-butyl-2-methoxyphenyl)sulfonyl-1-piperazinyl]-N-(4-methoxyphenyl)-6-methyl-4-pyrimidinamine IUPAC Name: 2-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine Traditional Name: [2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazino]-6-methyl-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)(C)C)OC)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)(C)C)OC)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H35N5O4S/c1-19-17-25(29-21-8-10-22(35-5)11-9-21)30-26(28-19)31-13-15-32(16-14-31)37(33,34)24-18-20(27(2,3)4)7-12-23(24)36-6/h7-12,17-18H,13-16H2,1-6H3,(H,28,29,30)