4-pyrrolidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4-pyrrolidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-pyrrolidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-(1-pyrrolidinyl)-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-pyrrolidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-pyrrolidino-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazino]pyrimidine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C

InChI

InChI=1S/C21H29N5O2S/c1-16-12-18(3)19(13-17(16)2)29(27,28)26-10-8-25(9-11-26)21-14-20(22-15-23-21)24-6-4-5-7-24/h12-15H,4-11H2,1-3H3