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

Systemtic Name: 6-tert-butyl-2-[2-oxidanylidene-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[2-oxo-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[[2-oxo-2-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[2-oxo-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[[2-keto-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]thio]-1H-pyrimidin-4-one Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O2S/c1-21(2,3)17-13-18(27)24-20(23-17)29-15-19(28)26-10-6-9-25(11-12-26)14-16-7-4-5-8-22-16/h4-5,7-8,13H,6,9-12,14-15H2,1-3H3,(H,23,24,27)