1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]ethanone Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H25N5OS2/c1-17-5-2-6-18(24-17)15-26-10-4-11-27(13-12-26)21(28)16-30-22-23-9-8-19(25-22)20-7-3-14-29-20/h2-3,5-9,14H,4,10-13,15-16H2,1H3