2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-phenyl-1H-pyrimidin-4-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S/c22-16-12-15(14-8-4-3-5-9-14)19-18(20-16)24-13-17(23)21-10-6-1-2-7-11-21/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,19,20,22)