3-butyl-5,6-dimethyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butyl-5,6-dimethyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-5,6-dimethyl-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-5,6-dimethyl-2-[[(3S)-2-oxo-3-azepanyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-5,6-dimethyl-2-[(3S)-2-oxoazepan-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-2-[[(3S)-2-ketoazepan-3-yl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1S[C@H]3CCCCNC3=O)SC(=C2C)C

InChI

InChI=1S/C18H25N3O2S2/c1-4-5-10-21-17(23)14-11(2)12(3)24-16(14)20-18(21)25-13-8-6-7-9-19-15(13)22/h13H,4-10H2,1-3H3,(H,19,22)/t13-/m0/s1