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

Systemtic Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 9-(cyclohexylmethyl)-8-(2-furyl)-2-(3-phenylpropoxy)purin-6-amine CAS Name: 9-(cyclohexylmethyl)-8-(2-furanyl)-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [9-(cyclohexylmethyl)-8-(2-furyl)-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)OCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)OCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

InChI

InChI=1S/C25H29N5O2/c26-22-21-24(29-25(28-22)32-16-7-13-18-9-3-1-4-10-18)30(17-19-11-5-2-6-12-19)23(27-21)20-14-8-15-31-20/h1,3-4,8-10,14-15,19H,2,5-7,11-13,16-17H2,(H2,26,28,29)