3-[9-(oxan-2-yl)purin-6-yl]benzaldehyde

Systemtic Name: 3-[9-(oxan-2-yl)purin-6-yl]benzaldehyde Openeye Name: 3-(9-tetrahydropyran-2-ylpurin-6-yl)benzaldehyde CAS Name: 3-[9-(2-oxanyl)-6-purinyl]benzaldehyde IUPAC Name: 3-[9-(oxan-2-yl)purin-6-yl]benzaldehyde Traditional Name: 3-(9-tetrahydropyran-2-ylpurin-6-yl)benzaldehyde Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C4=CC(=CC=C4)C=O

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C4=CC(=CC=C4)C=O

InChI

InChI=1S/C17H16N4O2/c22-9-12-4-3-5-13(8-12)15-16-17(19-10-18-15)21(11-20-16)14-6-1-2-7-23-14/h3-5,8-11,14H,1-2,6-7H2