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

Systemtic Name: 3-methoxy-2-[2-oxidanylidene-6-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-3-propyl-7H-purin-8-yl]propanoic acid Openeye Name: 2-[6-[(1-benzyl-2-hydroxy-ethyl)amino]-2-oxo-3-propyl-7H-purin-8-yl]-3-methoxy-propanoic acid CAS Name: 2-[6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxo-3-propyl-7H-purin-8-yl]-3-methoxypropanoic acid IUPAC Name: 2-[6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxo-3-propyl-7H-purin-8-yl]-3-methoxypropanoic acid Traditional Name: 2-[6-[(1-benzyl-2-hydroxy-ethyl)amino]-2-keto-3-propyl-7H-purin-8-yl]-3-methoxy-propionic acid Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5/c1-3-9-26-19-16(23-17(24-19)15(12-31-2)20(28)29)18(25-21(26)30)22-14(11-27)10-13-7-5-4-6-8-13/h4-8,14-15,27H,3,9-12H2,1-2H3,(H,23,24)(H,28,29)(H,22,25,30)