7-cyclohexyl-1,3-dimethyl-5-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-cyclohexyl-1,3-dimethyl-5-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanyl-7-cyclohexyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclohexyl-5-[[(E)-2-hydroxy-4-oxopent-2-en-3-yl]thio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclohexyl-5-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[(E)-1-acetyl-2-hydroxy-prop-1-enyl]thio]-7-cyclohexyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3CCCCC3)O

Isomeric SMILES

C/C(=C(/C(=O)C)\SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3CCCCC3)/O

InChI

InChI=1S/C19H24N4O4S/c1-10(24)14(11(2)25)28-17-13-16(22(3)19(27)23(4)18(13)26)20-15(21-17)12-8-6-5-7-9-12/h12,24H,5-9H2,1-4H3/b14-10+