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

Systemtic Name: N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-N2-[4-(propylamino)butyl]purine-2,6-diamine Openeye Name: 9-isopropyl-N6-[(4-phenylphenyl)methyl]-N2-[4-(propylamino)butyl]purine-2,6-diamine CAS Name: N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-N2-[4-(propylamino)butyl]purine-2,6-diamine IUPAC Name: 6-N-[(4-phenylphenyl)methyl]-9-propan-2-yl-2-N-[4-(propylamino)butyl]purine-2,6-diamine Traditional Name: [9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]-[4-(propylamino)butyl]amine Formula: C28H37N7 MolecularWeight: 471.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCCNC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4)N=CN2C(C)C

Isomeric SMILES

CCCNCCCCNC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4)N=CN2C(C)C

InChI

InChI=1S/C28H37N7/c1-4-16-29-17-8-9-18-30-28-33-26(25-27(34-28)35(20-32-25)21(2)3)31-19-22-12-14-24(15-13-22)23-10-6-5-7-11-23/h5-7,10-15,20-21,29H,4,8-9,16-19H2,1-3H3,(H2,30,31,33,34)