2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-cyanophenyl)carbamoyl]ethanamide

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-cyanophenyl)carbamoyl]ethanamide Openeye Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-cyanophenyl)carbamoyl]acetamide CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(2-cyanoanilino)-oxomethyl]acetamide IUPAC Name: 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-cyanophenyl)carbamoyl]acetamide Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(2-cyanophenyl)carbamoyl]acetamide Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NC(=O)NC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NC(=O)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C18H16N6O2S2/c1-9-10(2)28-16-14(9)15(20)23-18(24-16)27-8-13(25)22-17(26)21-12-6-4-3-5-11(12)7-19/h3-6H,8H2,1-2H3,(H2,20,23,24)(H2,21,22,25,26)