4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 4-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: 4-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 4-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C18H21N5O3S3 MolecularWeight: 451.58604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C18H21N5O3S3/c1-10-11(2)28-17-15(10)16(19)22-18(23-17)27-9-3-4-14(24)21-12-5-7-13(8-6-12)29(20,25)26/h5-8H,3-4,9H2,1-2H3,(H,21,24)(H2,19,22,23)(H2,20,25,26)