2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-cyclopropyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-cyclopropyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-cyclopropyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4CC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4CC4

InChI

InChI=1S/C20H25N3O2S2/c1-2-9-23-19(25)17-15(14-7-8-14)12-26-18(17)21-20(23)27-13-16(24)22-10-5-3-4-6-11-22/h2,12,14H,1,3-11,13H2