(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid (4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl ester IUPAC Name: (4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C16H18N4O4S3 MolecularWeight: 426.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)CCNS(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)CCNS(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C16H18N4O4S3/c1-9-10(2)26-16-14(9)15(17)19-11(20-16)8-24-12(21)5-6-18-27(22,23)13-4-3-7-25-13/h3-4,7,18H,5-6,8H2,1-2H3,(H2,17,19,20)