8-(furan-2-yl)-9-pentyl-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 8-(furan-2-yl)-9-pentyl-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-(2-furyl)-9-pentyl-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-(2-furanyl)-9-pentyl-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-(furan-2-yl)-9-pentyl-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-9-amyl-8-(2-furyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C23H28N6O/c1-2-3-7-15-29-21(18-13-9-16-30-18)26-19-20(24)27-23(28-22(19)29)25-14-8-12-17-10-5-4-6-11-17/h4-6,9-11,13,16H,2-3,7-8,12,14-15H2,1H3,(H3,24,25,27,28)