6-tert-butyl-2-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[[2-keto-2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethyl]thio]-1H-pyrimidin-4-one Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2S/c1-16-7-5-8-17(23-16)14-26-9-6-10-27(12-11-26)20(29)15-30-21-24-18(22(2,3)4)13-19(28)25-21/h5,7-8,13H,6,9-12,14-15H2,1-4H3,(H,24,25,28)