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(Q82125318)
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English
1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
360.4099
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀N₄O₂
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canonical SMILES
CC1=CC=C(C=C1)C2=C3C(=CN2CC4=CN=CC=C4)N(C(=O)N(C3=O)C)C
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Identifiers
InChI
InChI=1S/C21H20N4O2/c1-14-6-8-16(9-7-14)19-18-17(23(2)21(27)24(3)20(18)26)13-25(19)12-15-5-4-10-22-11-15/h4-11,13H,12H2,1-3H3
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InChIKey
CXNXKSCFJKQGJK-UHFFFAOYSA-N
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CAS Registry Number
5282-60-0
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PubChem CID
664561
1 reference
matched by identifier from
InChIKey
InChIKey
CXNXKSCFJKQGJK-UHFFFAOYSA-N
UniChem compound ID
851460
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60349821
1 reference
matched by identifier from
InChIKey
InChIKey
CXNXKSCFJKQGJK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60300891
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