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

Systemtic Name: (3-nitrophenyl) 4-[[4-azanyl-2,6-bis(oxidanylidene)-1,3-dipropyl-pyrimidin-5-yl]carbamoyl]benzenesulfonate Openeye Name: (3-nitrophenyl) 4-[(4-amino-2,6-dioxo-1,3-dipropyl-pyrimidin-5-yl)carbamoyl]benzenesulfonate CAS Name: 4-[[(4-amino-2,6-dioxo-1,3-dipropyl-5-pyrimidinyl)amino]-oxomethyl]benzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]benzenesulfonate Traditional Name: 4-[(4-amino-2,6-diketo-1,3-dipropyl-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid (3-nitrophenyl) ester Formula: C23H25N5O8S MolecularWeight: 531.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CCC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CCC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C23H25N5O8S/c1-3-12-26-20(24)19(22(30)27(13-4-2)23(26)31)25-21(29)15-8-10-18(11-9-15)37(34,35)36-17-7-5-6-16(14-17)28(32)33/h5-11,14H,3-4,12-13,24H2,1-2H3,(H,25,29)