5-[(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-pyridin-4-yl-methyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-pyridin-4-yl-methyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-diethyl-4-hydroxy-6-oxo-2-thioxo-pyrimidin-5-yl)-(4-pyridyl)methyl]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidene-5-pyrimidinyl)-pyridin-4-ylmethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-4-ylmethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1,3-diethyl-4-hydroxy-6-keto-2-thioxo-pyrimidin-5-yl)-(4-pyridyl)methyl]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)N(C1=S)CC)C(C2=CC=NC=C2)C3=C(N(C(=S)N(C3=O)CC)CC)O

Isomeric SMILES

CCN1C(=O)C(C(=O)N(C1=S)CC)C(C2=CC=NC=C2)C3=C(N(C(=S)N(C3=O)CC)CC)O

InChI

InChI=1S/C22H27N5O4S2/c1-5-24-17(28)15(18(29)25(6-2)21(24)32)14(13-9-11-23-12-10-13)16-19(30)26(7-3)22(33)27(8-4)20(16)31/h9-12,14-15,30H,5-8H2,1-4H3