4-[(2-chloranyl-7H-purin-6-yl)amino]benzaldehyde

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]benzaldehyde Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzaldehyde CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzaldehyde IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzaldehyde Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzaldehyde Formula: C12H8ClN5O MolecularWeight: 273.67782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)NC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC(=CC=C1C=O)NC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C12H8ClN5O/c13-12-17-10-9(14-6-15-10)11(18-12)16-8-3-1-7(5-19)2-4-8/h1-6H,(H2,14,15,16,17,18)