2-[(3S,5R)-3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S,5R)-3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[(3S,5R)-3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]acetic acid CAS Name: 2-[(3S,5R)-3,5-dimethyl-4-(9-methyl-6-purinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[(3S,5R)-3,5-dimethyl-4-(9-methylpurin-6-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[(3S,5R)-3,5-dimethyl-4-(9-methylpurin-6-yl)piperazino]acetic acid Formula: C14H20N6O2 MolecularWeight: 304.3476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=NC3=C2N=CN3C)C)CC(=O)O

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C2=NC=NC3=C2N=CN3C)C)CC(=O)O

InChI

InChI=1S/C14H20N6O2/c1-9-4-19(6-11(21)22)5-10(2)20(9)14-12-13(15-7-16-14)18(3)8-17-12/h7-10H,4-6H2,1-3H3,(H,21,22)/t9-,10+