2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=C4C=CSC4=N3)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=C4C=CSC4=N3)N)OC1

InChI

InChI=1S/C17H16N4O3S2/c18-15-11-4-7-25-16(11)21-17(20-15)26-9-14(22)19-10-2-3-12-13(8-10)24-6-1-5-23-12/h2-4,7-8H,1,5-6,9H2,(H,19,22)(H2,18,20,21)