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2-[[9-(2-methyl-5-oxidanyl-pentyl)purin-6-yl]amino]benzoic acid

Systemtic Name:	2-[[9-(2-methyl-5-oxidanyl-pentyl)purin-6-yl]amino]benzoic acid
Openeye Name:	2-[[9-(5-hydroxy-2-methyl-pentyl)purin-6-yl]amino]benzoic acid
CAS Name:	2-[[9-(5-hydroxy-2-methylpentyl)-6-purinyl]amino]benzoic acid
IUPAC Name:	2-[[9-(5-hydroxy-2-methylpentyl)purin-6-yl]amino]benzoic acid
Traditional Name:	2-[[9-(5-hydroxy-2-methyl-pentyl)purin-6-yl]amino]benzoic acid
Formula:	C₁₈H₂₁N₅O₃
MolecularWeight:	355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCO)CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(CCCO)CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H21N5O3/c1-12(5-4-8-24)9-23-11-21-15-16(19-10-20-17(15)23)22-14-7-3-2-6-13(14)18(25)26/h2-3,6-7,10-12,24H,4-5,8-9H2,1H3,(H,25,26)(H,19,20,22)

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