2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3,6-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3,6-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S2/c30-23(28-15-9-1-2-10-16-28)18-32-26-27-24-21(17-22(33-24)19-11-5-3-6-12-19)25(31)29(26)20-13-7-4-8-14-20/h3-8,11-14,17H,1-2,9-10,15-16,18H2