N6-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: N6-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: N6-ethyl-8-(2-furyl)-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: N6-ethyl-8-(2-furanyl)-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 6-N-ethyl-8-(furan-2-yl)-9-(4-methoxyphenyl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: ethyl-[8-(2-furyl)-9-(4-methoxyphenyl)-2-(3-phenylpropylamino)purin-6-yl]amine Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4)NCCCC5=CC=CC=C5

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4)NCCCC5=CC=CC=C5

InChI

InChI=1S/C27H28N6O2/c1-3-28-24-23-26(32-27(31-24)29-17-7-11-19-9-5-4-6-10-19)33(20-13-15-21(34-2)16-14-20)25(30-23)22-12-8-18-35-22/h4-6,8-10,12-16,18H,3,7,11,17H2,1-2H3,(H2,28,29,31,32)