5-[(S)-(4-methylphenyl)-(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-methylphenyl)-(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)-(p-tolyl)methyl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(S)-(4-methylphenyl)-(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-methylphenyl)-(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)-(p-tolyl)methyl]-2-thioxo-pyrimidine-4,6-diolate Formula: C22H19N4O4S2-3 MolecularWeight: 467.54066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N(C(=S)NC2=O)CC=C)[O-])C3=C(N(C(=S)N=C3[O-])CC=C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=C(N(C(=S)NC2=O)CC=C)[O-])C3=C(N(C(=S)N=C3[O-])CC=C)[O-]

InChI

InChI=1S/C22H22N4O4S2/c1-4-10-25-19(29)15(17(27)23-21(25)31)14(13-8-6-12(3)7-9-13)16-18(28)24-22(32)26(11-5-2)20(16)30/h4-9,14,29-30H,1-2,10-11H2,3H3,(H,23,27,31)(H,24,28,32)/p-3