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

Systemtic Name: 4-[6-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine Openeye Name: 4-[6-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine CAS Name: 4-[6-[4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-pyrimidinyl]morpholine IUPAC Name: 4-[6-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine Traditional Name: 4-[6-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazino]pyrimidin-4-yl]morpholine Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)OC

InChI

InChI=1S/C21H29N5O4S/c1-16-12-18(29-3)19(13-17(16)2)31(27,28)26-6-4-24(5-7-26)20-14-21(23-15-22-20)25-8-10-30-11-9-25/h12-15H,4-11H2,1-3H3