5-[(S)-(4-chlorophenyl)-(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)-(4-chlorophenyl)-(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)-(4-chlorophenyl)methyl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(S)-(4-chlorophenyl)-(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)-(4-chlorophenyl)-(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)-(4-chlorophenyl)methyl]-2-thioxo-pyrimidine-4,6-diolate Formula: C21H16ClN4O4S2-3 MolecularWeight: 487.95914

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19ClN4O4S2/c1-3-9-25-18(29)14(16(27)23-20(25)31)13(11-5-7-12(22)8-6-11)15-17(28)24-21(32)26(10-4-2)19(15)30/h3-8,13,29-30H,1-2,9-10H2,(H,23,27,31)(H,24,28,32)/p-3