N-ethyl-6-methyl-2-[4-(2-methyl-5-propan-2-yl-phenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-ethyl-6-methyl-2-[4-(2-methyl-5-propan-2-yl-phenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Openeye Name: N-ethyl-2-[4-(5-isopropyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]-6-methyl-pyrimidin-4-amine CAS Name: N-ethyl-6-methyl-2-[4-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-ethyl-6-methyl-2-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: ethyl-[2-[4-(5-isopropyl-2-methyl-phenyl)sulfonylpiperazino]-6-methyl-pyrimidin-4-yl]amine Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)C)C

Isomeric SMILES

CCNC1=NC(=NC(=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)C)C

InChI

InChI=1S/C21H31N5O2S/c1-6-22-20-13-17(5)23-21(24-20)25-9-11-26(12-10-25)29(27,28)19-14-18(15(2)3)8-7-16(19)4/h7-8,13-15H,6,9-12H2,1-5H3,(H,22,23,24)