9-[2-[bis(2-methyl-3-phenyl-propyl)phosphorylmethoxy]ethyl]-N6-cyclopropyl-purine-2,6-diamine

Systemtic Name: 9-[2-[bis(2-methyl-3-phenyl-propyl)phosphorylmethoxy]ethyl]-N6-cyclopropyl-purine-2,6-diamine Openeye Name: 9-[2-[bis(2-methyl-3-phenyl-propyl)phosphorylmethoxy]ethyl]-N6-cyclopropyl-purine-2,6-diamine CAS Name: 9-[2-[bis(2-methyl-3-phenylpropyl)phosphorylmethoxy]ethyl]-N6-cyclopropylpurine-2,6-diamine IUPAC Name: 9-[2-[bis(2-methyl-3-phenylpropyl)phosphorylmethoxy]ethyl]-6-N-cyclopropylpurine-2,6-diamine Traditional Name: [2-amino-9-[2-[bis(2-methyl-3-phenyl-propyl)phosphorylmethoxy]ethyl]purin-6-yl]-cyclopropyl-amine Formula: C31H41N6O2P MolecularWeight: 560.670001

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)CP(=O)(CC(C)CC2=CC=CC=C2)COCCN3C=NC4=C3N=C(N=C4NC5CC5)N

Isomeric SMILES

CC(CC1=CC=CC=C1)CP(=O)(CC(C)CC2=CC=CC=C2)COCCN3C=NC4=C3N=C(N=C4NC5CC5)N

InChI

InChI=1S/C31H41N6O2P/c1-23(17-25-9-5-3-6-10-25)19-40(38,20-24(2)18-26-11-7-4-8-12-26)22-39-16-15-37-21-33-28-29(34-27-13-14-27)35-31(32)36-30(28)37/h3-12,21,23-24,27H,13-20,22H2,1-2H3,(H3,32,34,35,36)