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

Systemtic Name: 5-[(4-oxidanylidene-2-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(4-oxo-2-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(4-oxo-2-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(4-oxo-2-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(4-keto-2-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C15H18N3O5S- MolecularWeight: 352.38552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

CCCC1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C15H19N3O5S/c1-2-3-13-16-12-6-7-18(9-11(12)15(19)17-13)8-10-4-5-14(23-10)24(20,21)22/h4-5H,2-3,6-9H2,1H3,(H,16,17,19)(H,20,21,22)/p-1