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

Systemtic Name: 8-(furan-2-yl)-N2-(3-phenylpropyl)-9-prop-2-enyl-purine-2,6-diamine Openeye Name: 9-allyl-8-(2-furyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-(2-furanyl)-N2-(3-phenylpropyl)-9-prop-2-enylpurine-2,6-diamine IUPAC Name: 8-(furan-2-yl)-2-N-(3-phenylpropyl)-9-prop-2-enylpurine-2,6-diamine Traditional Name: [9-allyl-6-amino-8-(2-furyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

C=CCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C21H22N6O/c1-2-13-27-19(16-11-7-14-28-16)24-17-18(22)25-21(26-20(17)27)23-12-6-10-15-8-4-3-5-9-15/h2-5,7-9,11,14H,1,6,10,12-13H2,(H3,22,23,25,26)