2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S2/c24-17(22-11-6-1-2-7-12-22)14-27-20-21-18-16(10-13-26-18)19(25)23(20)15-8-4-3-5-9-15/h3-5,8-10,13H,1-2,6-7,11-12,14H2