3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[[(3S)-2-oxo-3-azepanyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[(3S)-2-oxoazepan-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-5-ethyl-2-[[(3S)-2-ketoazepan-3-yl]thio]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCNC3=O)C4=CC(=C(C=C4)C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)S[C@H]3CCCCNC3=O)C4=CC(=C(C=C4)C)C)C

InChI

InChI=1S/C23H27N3O2S2/c1-5-17-15(4)29-21-19(17)22(28)26(16-10-9-13(2)14(3)12-16)23(25-21)30-18-8-6-7-11-24-20(18)27/h9-10,12,18H,5-8,11H2,1-4H3,(H,24,27)/t18-/m0/s1