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

Systemtic Name: 9-decyl-8-(furan-2-yl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 9-decyl-8-(2-furyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 9-decyl-8-(2-furanyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 9-decyl-8-(furan-2-yl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-9-decyl-8-(2-furyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C28H38N6O MolecularWeight: 474.64092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C28H38N6O/c1-2-3-4-5-6-7-8-12-20-34-26(23-18-14-21-35-23)31-24-25(29)32-28(33-27(24)34)30-19-13-17-22-15-10-9-11-16-22/h9-11,14-16,18,21H,2-8,12-13,17,19-20H2,1H3,(H3,29,30,32,33)