pyrrolo[1,2-a][1,7]naphthyridin-5-ol hydrate

Systemtic Name: pyrrolo[1,2-a][1,7]naphthyridin-5-ol hydrate Openeye Name: pyrrolo[1,2-a][1,7]naphthyridin-5-ol hydrate CAS Name: 5-pyrrolo[1,2-a][1,7]naphthyridinol hydrate IUPAC Name: pyrrolo[1,2-a][1,7]naphthyridin-5-ol hydrate Traditional Name: pyrrolo[1,2-a][1,7]naphthyridin-5-ol hydrate Formula: C44H34N8O5 MolecularWeight: 754.79136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.O

Isomeric SMILES

C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.C1=CN2C(=C1)C=C(C3=C2C=NC=C3)O.O

InChI

InChI=1S/4C11H8N2O.H2O/c4*14-11-6-8-2-1-5-13(8)10-7-12-4-3-9(10)11;/h4*1-7,14H;1H2