1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]ethanone Formula: C20H24N6OS2 MolecularWeight: 428.57416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C20H24N6OS2/c1-24-10-7-21-18(24)14-25-8-3-9-26(12-11-25)19(27)15-29-20-22-6-5-16(23-20)17-4-2-13-28-17/h2,4-7,10,13H,3,8-9,11-12,14-15H2,1H3