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

Systemtic Name: N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-N2-[4-(propylamino)cyclohexyl]purine-2,6-diamine Openeye Name: 9-isopropyl-N6-[(4-phenylphenyl)methyl]-N2-[4-(propylamino)cyclohexyl]purine-2,6-diamine CAS Name: N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-N2-[4-(propylamino)cyclohexyl]purine-2,6-diamine IUPAC Name: 6-N-[(4-phenylphenyl)methyl]-9-propan-2-yl-2-N-[4-(propylamino)cyclohexyl]purine-2,6-diamine Traditional Name: [9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]-[4-(propylamino)cyclohexyl]amine Formula: C30H39N7 MolecularWeight: 497.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CCCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C30H39N7/c1-4-18-31-25-14-16-26(17-15-25)34-30-35-28(27-29(36-30)37(20-33-27)21(2)3)32-19-22-10-12-24(13-11-22)23-8-6-5-7-9-23/h5-13,20-21,25-26,31H,4,14-19H2,1-3H3,(H2,32,34,35,36)