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

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-6-ethoxy-2-methylpyrimidine IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-6-ethoxy-2-methyl-pyrimidine Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H30N4O3S/c1-6-28-20-15-19(22-16(2)23-20)24-11-13-25(14-12-24)29(26,27)18-9-7-17(8-10-18)21(3,4)5/h7-10,15H,6,11-14H2,1-5H3