9-decyl-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine

Systemtic Name: 9-decyl-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 9-decyl-8-(2-furyl)-2-(3-phenylpropoxy)purin-6-amine CAS Name: 9-decyl-8-(2-furanyl)-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 9-decyl-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [9-decyl-8-(2-furyl)-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CCCCCCCCCCN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C28H37N5O2/c1-2-3-4-5-6-7-8-12-19-33-26(23-18-14-20-34-23)30-24-25(29)31-28(32-27(24)33)35-21-13-17-22-15-10-9-11-16-22/h9-11,14-16,18,20H,2-8,12-13,17,19,21H2,1H3,(H2,29,31,32)