N-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-2-(3-phenylpropoxy)purin-6-amine

Systemtic Name: N-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-2-(3-phenylpropoxy)purin-6-amine Openeye Name: N-ethyl-8-(2-furyl)-9-(4-methoxyphenyl)-2-(3-phenylpropoxy)purin-6-amine CAS Name: N-ethyl-8-(2-furanyl)-9-(4-methoxyphenyl)-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: N-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-2-(3-phenylpropoxy)purin-6-amine Traditional Name: ethyl-[8-(2-furyl)-9-(4-methoxyphenyl)-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4)OCCCC5=CC=CC=C5

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4)OCCCC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3/c1-3-28-24-23-26(31-27(30-24)35-18-7-11-19-9-5-4-6-10-19)32(20-13-15-21(33-2)16-14-20)25(29-23)22-12-8-17-34-22/h4-6,8-10,12-17H,3,7,11,18H2,1-2H3,(H,28,30,31)