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

Systemtic Name: 3,5,6-trimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-(2-oxoazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[(2-oxo-3-azepanyl)thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-(2-oxoazepan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCNC3=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCNC3=O)C)C

InChI

InChI=1S/C15H19N3O2S2/c1-8-9(2)21-13-11(8)14(20)18(3)15(17-13)22-10-6-4-5-7-16-12(10)19/h10H,4-7H2,1-3H3,(H,16,19)