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

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-15(19(25)23-12-7-2-3-8-13-23)28-21-22-18-17(11-14-27-18)20(26)24(21)16-9-5-4-6-10-16/h4-6,9-11,14-15H,2-3,7-8,12-13H2,1H3/t15-/m1/s1