N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-N2-[2-(propylamino)ethyl]purine-2,6-diamine

Systemtic Name: N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-N2-[2-(propylamino)ethyl]purine-2,6-diamine Openeye Name: 9-isopropyl-N6-[(4-phenylphenyl)methyl]-N2-[2-(propylamino)ethyl]purine-2,6-diamine CAS Name: N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-N2-[2-(propylamino)ethyl]purine-2,6-diamine IUPAC Name: 6-N-[(4-phenylphenyl)methyl]-9-propan-2-yl-2-N-[2-(propylamino)ethyl]purine-2,6-diamine Traditional Name: [9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]-[2-(propylamino)ethyl]amine Formula: C26H33N7 MolecularWeight: 443.58712

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCNC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4)N=CN2C(C)C

Isomeric SMILES

CCCNCCNC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4)N=CN2C(C)C

InChI

InChI=1S/C26H33N7/c1-4-14-27-15-16-28-26-31-24(23-25(32-26)33(18-30-23)19(2)3)29-17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,18-19,27H,4,14-17H2,1-3H3,(H2,28,29,31,32)