2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone CAS Name: 2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-1-(azepan-1-yl)ethanone Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=C3C=CSC3=N2)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=C3C=CSC3=N2)N

InChI

InChI=1S/C14H18N4OS2/c15-12-10-5-8-20-13(10)17-14(16-12)21-9-11(19)18-6-3-1-2-4-7-18/h5,8H,1-4,6-7,9H2,(H2,15,16,17)