5-[(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1,3-diethyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1,3-diethyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1,3-diethyl-4-hydroxy-6-oxo-2-thioxo-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1,3-diethyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidene-5-pyrimidinyl)-(4-nitrophenyl)methyl]-1,3-diethyl-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)-(4-nitrophenyl)methyl]-1,3-diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1,3-diethyl-4-hydroxy-6-keto-2-thioxo-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-1,3-diethyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C23H27N5O6S2 MolecularWeight: 533.62038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N(C1=S)CC)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C(=S)N(C3=O)CC)CC)O)O

Isomeric SMILES

CCN1C(=C(C(=O)N(C1=S)CC)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C(=S)N(C3=O)CC)CC)O)O

InChI

InChI=1S/C23H27N5O6S2/c1-5-24-18(29)16(19(30)25(6-2)22(24)35)15(13-9-11-14(12-10-13)28(33)34)17-20(31)26(7-3)23(36)27(8-4)21(17)32/h9-12,15,29,31H,5-8H2,1-4H3