4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C22H31N5O3S/c1-2-3-16-30-19-6-8-20(9-7-19)31(28,29)27-14-12-26(13-15-27)22-17-21(23-18-24-22)25-10-4-5-11-25/h6-9,17-18H,2-5,10-16H2,1H3