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

Systemtic Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine Openeye Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine CAS Name: 4-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-propoxypyrimidine IUPAC Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine Traditional Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazino]-2-methyl-6-propoxy-pyrimidine Formula: C22H32N4O4S MolecularWeight: 448.57888

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4S/c1-4-6-16-29-19-7-9-20(10-8-19)31(27,28)26-13-11-25(12-14-26)21-17-22(30-15-5-2)24-18(3)23-21/h7-10,17H,4-6,11-16H2,1-3H3