methanol; 5-phenyl-N-[(E)-quinoxalin-5-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: methanol; 5-phenyl-N-[(E)-quinoxalin-5-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine Openeye Name: methanol; 5-phenyl-N-[(E)-quinoxalin-5-ylmethyleneamino]thieno[2,3-d]pyrimidin-4-amine CAS Name: methanol; 5-phenyl-N-[(E)-5-quinoxalinylmethylideneamino]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: methanol; 5-phenyl-N-[(E)-quinoxalin-5-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine Traditional Name: methanol; (5-phenylthieno[2,3-d]pyrimidin-4-yl)-[(E)-quinoxalin-5-ylmethyleneamino]amine Formula: C22H18N6OS MolecularWeight: 414.48292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NN=CC4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CO.C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N/N=C/C4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C21H14N6S.CH4O/c1-2-5-14(6-3-1)16-12-28-21-18(16)20(24-13-25-21)27-26-11-15-7-4-8-17-19(15)23-10-9-22-17;1-2/h1-13H,(H,24,25,27);2H,1H3/b26-11+;