3-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-methyl-2-(2-oxoazepan-3-yl)sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(2-oxo-3-azepanyl)thio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-methyl-2-(2-oxoazepan-3-yl)sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3-methyl-thieno[3,2-d]pyrimidin-4-one Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CS2)N=C1SC3CCCCNC3=O

Isomeric SMILES

CN1C(=O)C2=C(C=CS2)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C13H15N3O2S2/c1-16-12(18)10-8(5-7-19-10)15-13(16)20-9-4-2-3-6-14-11(9)17/h5,7,9H,2-4,6H2,1H3,(H,14,17)