3-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-[cyclopentyl-(2,5-dimethylbenzyl)amino]purin-9-yl]propane-1,2-diol Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN(C2CCCC2)C3=NC=NC4=C3N=CN4CC(CO)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN(C2CCCC2)C3=NC=NC4=C3N=CN4CC(CO)O

InChI

InChI=1S/C22H29N5O2/c1-15-7-8-16(2)17(9-15)10-27(18-5-3-4-6-18)22-20-21(23-13-24-22)26(14-25-20)11-19(29)12-28/h7-9,13-14,18-19,28-29H,3-6,10-12H2,1-2H3