2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-cyclopentyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)N3CCCCCC3)C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)S[C@@H](C)C(=O)N3CCCCCC3)C4CCCC4)C

InChI

InChI=1S/C22H31N3O2S2/c1-14-15(2)28-19-18(14)21(27)25(17-10-6-7-11-17)22(23-19)29-16(3)20(26)24-12-8-4-5-9-13-24/h16-17H,4-13H2,1-3H3/t16-/m0/s1