5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate

Systemtic Name: 5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[[2-(2-thienyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate CAS Name: 5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[[2-(2-thienyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate Formula: C16H14N3O4S2- MolecularWeight: 376.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CN=C(N=C21)C3=CC=CS3)CC4=CC=C(O4)S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CC2=CN=C(N=C21)C3=CC=CS3)CC4=CC=C(O4)S(=O)(=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c20-25(21,22)15-4-3-12(23-15)10-19-6-5-13-11(9-19)8-17-16(18-13)14-2-1-7-24-14/h1-4,7-8H,5-6,9-10H2,(H,20,21,22)/p-1