4-[[6-azanyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[6-azanyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid CAS Name: 4-[[(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid Traditional Name: 4-[(6-amino-2,4-diketo-3-propargyl-1H-pyrimidin-5-yl)carbamoyl]besylic acid Formula: C14H12N4O6S MolecularWeight: 364.33328

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C#CCN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H12N4O6S/c1-2-7-18-13(20)10(11(15)17-14(18)21)16-12(19)8-3-5-9(6-4-8)25(22,23)24/h1,3-6H,7,15H2,(H,16,19)(H,17,21)(H,22,23,24)