Ro 04-7683 structure

Ro 04-7683

1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one;2-ethoxybenzamide;1,3,7-trimethylpurine-2,6-dione

CAS: 82464-70-8
Molecular Formula C31H39N7O5
Molecular Weight 589.7 g/mol
Topological Polar Surface Area 134.0 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 589.3013
Heavy Atoms 43
Complexity 792.0

Chemical Identifiers

CAS Number 82464-70-8
SMILES CCOC1=CC=CC=C1C(=O)N.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChIKey DVULLFCASSYCQU-UHFFFAOYSA-N

📖 Product Overview

Ro 04-7683 (CAS: 82464-70-8) is a chemical compound with molecular formula C31H39N7O5 and molecular weight 589.7 g/mol. Its IUPAC systematic name is 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one;2-ethoxybenzamide;1,3,7-trimethylpurine-2,6-dione. Topological Polar Surface Area 134.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 589.3013 Heavy Atoms 43 Complexity 792.0 InChI Key: DVULLFCASSYCQU-UHFFFAOYSA-N. SMILES: CCOC1=CC=CC=C1C(=O)N.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.

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