3-[3-oxidanyl-2-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-6-propyl-purin-8-yl]propanoic acid

Systemtic Name: 3-[3-oxidanyl-2-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-6-propyl-purin-8-yl]propanoic acid Openeye Name: 3-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-3-hydroxy-6-propyl-purin-8-yl]propanoic acid CAS Name: 3-[3-hydroxy-2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-6-propyl-8-purinyl]propanoic acid IUPAC Name: 3-[3-hydroxy-2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-6-propylpurin-8-yl]propanoic acid Traditional Name: 3-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-3-hydroxy-6-propyl-purin-8-yl]propionic acid Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NC(=N2)CCC(=O)O)N(C(=N1)NC(CC3=CC=CC=C3)CO)O

Isomeric SMILES

CCCC1=C2C(=NC(=N2)CCC(=O)O)N(C(=N1)NC(CC3=CC=CC=C3)CO)O

InChI

InChI=1S/C20H25N5O4/c1-2-6-15-18-19(24-16(23-18)9-10-17(27)28)25(29)20(22-15)21-14(12-26)11-13-7-4-3-5-8-13/h3-5,7-8,14,26,29H,2,6,9-12H2,1H3,(H,21,22)(H,27,28)