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4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)benzaldehyde hydrate

4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)benzaldehyde hydrate

Systemtic Name:4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)benzaldehyde hydrate
Openeye Name:4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)benzaldehyde hydrate
CAS Name:4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)benzaldehyde hydrate
IUPAC Name:4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)benzaldehyde hydrate
Traditional Name:4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)benzaldehyde hydrate
Formula: C13H11N3O2
MolecularWeight: 241.24534
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C2=CC3=NC=CN=C3N2.O


Isomeric SMILES

C1=CC(=CC=C1C=O)C2=CC3=NC=CN=C3N2.O


InChI

InChI=1S/C13H9N3O.H2O/c17-8-9-1-3-10(4-2-9)11-7-12-13(16-11)15-6-5-14-12;/h1-8H,(H,15,16);1H2


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