1-[4-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]piperazino]-3-(phenylthio)propan-1-one Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC=NC(=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC=NC(=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O2S/c1-18-15-28(16-19(2)30-18)22-14-21(24-17-25-22)26-9-11-27(12-10-26)23(29)8-13-31-20-6-4-3-5-7-20/h3-7,14,17-19H,8-13,15-16H2,1-2H3