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

Systemtic Name: 5-(3,4-dimethylphenyl)-3-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-3-methyl-2-(2-oxoazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-3-methyl-2-[(2-oxo-3-azepanyl)thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethylphenyl)-3-methyl-2-(2-oxoazepan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-2-[(2-ketoazepan-3-yl)thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC4CCCCNC4=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC4CCCCNC4=O)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-12-7-8-14(10-13(12)2)15-11-27-19-17(15)20(26)24(3)21(23-19)28-16-6-4-5-9-22-18(16)25/h7-8,10-11,16H,4-6,9H2,1-3H3,(H,22,25)