4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C)OC

InChI

InChI=1S/C21H29N5O3S/c1-16-13-19(17(2)12-18(16)29-3)30(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