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

Systemtic Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 9-(cyclohexylmethyl)-8-(2-furyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 9-(cyclohexylmethyl)-8-(2-furanyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 9-(cyclohexylmethyl)-8-(furan-2-yl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-9-(cyclohexylmethyl)-8-(2-furyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

InChI

InChI=1S/C25H30N6O/c26-22-21-24(30-25(29-22)27-15-7-13-18-9-3-1-4-10-18)31(17-19-11-5-2-6-12-19)23(28-21)20-14-8-16-32-20/h1,3-4,8-10,14,16,19H,2,5-7,11-13,15,17H2,(H3,26,27,29,30)