1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-methylsulfonyl-1,4-diazepane

Systemtic Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-methylsulfonyl-1,4-diazepane CAS Name: 1-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-mesyl-1,4-diazepane Formula: C17H29N5O2S MolecularWeight: 367.50946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C17H29N5O2S/c1-14-13-15(2)19-17(18-14)21-9-5-16(6-10-21)20-7-4-8-22(12-11-20)25(3,23)24/h13,16H,4-12H2,1-3H3