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

Systemtic Name: (4-nitrophenyl) 4-[[6-azanyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonate Openeye Name: (4-nitrophenyl) 4-[(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonate CAS Name: 4-[[(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)amino]-oxomethyl]benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonate Traditional Name: 4-[(6-amino-2,4-diketo-3-propargyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid (4-nitrophenyl) ester Formula: C20H15N5O8S MolecularWeight: 485.4268

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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)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O8S/c1-2-11-24-19(27)16(17(21)23-20(24)28)22-18(26)12-3-9-15(10-4-12)34(31,32)33-14-7-5-13(6-8-14)25(29)30/h1,3-10H,11,21H2,(H,22,26)(H,23,28)