1-cyanoethyl 4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)benzoate

Systemtic Name: 1-cyanoethyl 4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: 1-cyanoethyl 4-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)benzoic acid 1-cyanoethyl ester Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)C3=CC=C(C=C3)C(=O)OC(C)C#N)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)C3=CC=C(C=C3)C(=O)OC(C)C#N)C

InChI

InChI=1S/C18H16N4O2S/c1-9(8-19)24-18(23)13-6-4-12(5-7-13)16-21-15(20)14-10(2)11(3)25-17(14)22-16/h4-7,9H,1-3H3,(H2,20,21,22)