3-[2-oxidanylidene-6-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-3-propyl-7H-purin-8-yl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-6-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-3-propyl-7H-purin-8-yl]propanoic acid Openeye Name: 3-[6-[(1-benzyl-2-hydroxy-ethyl)amino]-2-oxo-3-propyl-7H-purin-8-yl]propanoic acid CAS Name: 3-[6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxo-3-propyl-7H-purin-8-yl]propanoic acid IUPAC Name: 3-[6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxo-3-propyl-7H-purin-8-yl]propanoic acid Traditional Name: 3-[6-[(1-benzyl-2-hydroxy-ethyl)amino]-2-keto-3-propyl-7H-purin-8-yl]propionic acid Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)NC(CC3=CC=CC=C3)CO)NC(=N2)CCC(=O)O

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)NC(CC3=CC=CC=C3)CO)NC(=N2)CCC(=O)O

InChI

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