5-[(S)-(3-nitrophenyl)-(6-oxidanidyl-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl)methyl]-1-prop-2-enyl-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 5-[(S)-(3-nitrophenyl)-(6-oxidanidyl-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl)methyl]-1-prop-2-enyl-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 1-allyl-5-[(S)-(1-allyl-6-oxido-4-oxo-2-thioxo-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(S)-(3-nitrophenyl)-(6-oxido-4-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinyl)methyl]-1-prop-2-enyl-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-[(S)-(3-nitrophenyl)-(6-oxido-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)methyl]-1-prop-2-enyl-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 1-allyl-5-[(S)-(1-allyl-4-keto-6-oxido-2-thioxo-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2-thioxo-pyrimidine-4,6-diolate Formula: C21H16N5O6S2-3 MolecularWeight: 498.51164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCN1C(=C(C(=O)NC1=S)[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])C3=C(N(C(=S)N=C3[O-])CC=C)[O-])[O-]

InChI

InChI=1S/C21H19N5O6S2/c1-3-8-24-18(29)14(16(27)22-20(24)33)13(11-6-5-7-12(10-11)26(31)32)15-17(28)23-21(34)25(9-4-2)19(15)30/h3-7,10,13,29-30H,1-2,8-9H2,(H,22,27,33)(H,23,28,34)/p-3