2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C20H22N6OS2 MolecularWeight: 426.55828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC4=NC=CS4

InChI

InChI=1S/C20H22N6OS2/c27-19(26-10-3-9-25(11-12-26)14-18-22-8-13-28-18)15-29-20-23-7-5-17(24-20)16-4-1-2-6-21-16/h1-2,4-8,13H,3,9-12,14-15H2