4-[[6-(furan-2-yl)purin-9-yl]methyl]aniline

Systemtic Name: 4-[[6-(furan-2-yl)purin-9-yl]methyl]aniline Openeye Name: 4-[[6-(2-furyl)purin-9-yl]methyl]aniline CAS Name: 4-[[6-(2-furanyl)-9-purinyl]methyl]aniline IUPAC Name: 4-[[6-(furan-2-yl)purin-9-yl]methyl]aniline Traditional Name: [4-[[6-(2-furyl)purin-9-yl]methyl]phenyl]amine Formula: C16H13N5O MolecularWeight: 291.30732

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C3C(=NC=N2)N(C=N3)CC4=CC=C(C=C4)N

Isomeric SMILES

C1=COC(=C1)C2=C3C(=NC=N2)N(C=N3)CC4=CC=C(C=C4)N

InChI

InChI=1S/C16H13N5O/c17-12-5-3-11(4-6-12)8-21-10-20-15-14(13-2-1-7-22-13)18-9-19-16(15)21/h1-7,9-10H,8,17H2