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

Systemtic Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methyl-pyrimidin-4-amine Openeye Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methyl-pyrimidin-4-amine CAS Name: 2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-N-ethyl-6-methyl-4-pyrimidinamine IUPAC Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine Traditional Name: [2-[4-(4-butoxyphenyl)sulfonylpiperazino]-6-methyl-pyrimidin-4-yl]-ethyl-amine Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3S/c1-4-6-15-29-18-7-9-19(10-8-18)30(27,28)26-13-11-25(12-14-26)21-23-17(3)16-20(24-21)22-5-2/h7-10,16H,4-6,11-15H2,1-3H3,(H,22,23,24)