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

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic 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-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S2/c1-9-10(2)25-16-14(9)15(18)19-13(20-16)8-24-17(21)11-5-4-6-12(7-11)26(3,22)23/h4-7H,8H2,1-3H3,(H2,18,19,20)