6-tert-butyl-2-[2-oxidanylidene-2-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[2-oxidanylidene-2-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[2-oxo-2-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[[2-oxo-2-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[2-oxo-2-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[[2-keto-2-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]thio]-1H-pyrimidin-4-one Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C19H27N5O2S2/c1-19(2,3)14-11-15(25)22-18(21-14)28-13-17(26)24-7-4-6-23(8-9-24)12-16-20-5-10-27-16/h5,10-11H,4,6-9,12-13H2,1-3H3,(H,21,22,25)