5-[(2-azanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate

Systemtic Name: 5-[(2-azanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-amino-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(2-amino-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(2-amino-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(2-amino-4-keto-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C12H13N4O5S- MolecularWeight: 325.32042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1NC(=NC2=O)N)CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CC2=C1NC(=NC2=O)N)CC3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14N4O5S/c13-12-14-9-3-4-16(6-8(9)11(17)15-12)5-7-1-2-10(21-7)22(18,19)20/h1-2H,3-6H2,(H,18,19,20)(H3,13,14,15,17)/p-1