4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine

Systemtic Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine Openeye Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine CAS Name: 4-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-6-ethoxy-2-methylpyrimidine IUPAC Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine Traditional Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazino]-6-ethoxy-2-methyl-pyrimidine Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4S/c1-4-6-15-29-18-7-9-19(10-8-18)30(26,27)25-13-11-24(12-14-25)20-16-21(28-5-2)23-17(3)22-20/h7-10,16H,4-6,11-15H2,1-3H3