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

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]ethanone Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C23H26N6OS/c1-18-6-4-7-19(26-18)16-28-12-5-13-29(15-14-28)22(30)17-31-23-25-11-9-21(27-23)20-8-2-3-10-24-20/h2-4,6-11H,5,12-17H2,1H3