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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025700

Isocaffeine

Formula: C8H10N4O2  |  Mol. Weight: 194.19 g/mol

IUPAC: 1,3,9-trimethylpurine-2,6-dione

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Overview

Molecular Formula C8H10N4O2
Molecular Weight 194.19 g/mol
Canonical SMILES CN1C=NC2=C1N(C(=O)N(C2=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy