methyl 2-[3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylquinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylquinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylquinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylquinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C18H12N6O2S2 MolecularWeight: 408.45688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC(=C4C=CSC4=N3)N

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC(=C4C=CSC4=N3)N

InChI

InChI=1S/C18H12N6O2S2/c1-26-17(25)10(8-19)13-16(22-12-5-3-2-4-11(12)21-13)28-18-23-14(20)9-6-7-27-15(9)24-18/h2-7,10H,1H3,(H2,20,23,24)