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4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one; 2-azanyl-3-phenyl-propanoic acid

4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one; 2-azanyl-3-phenyl-propanoic acid

Systemtic Name:4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one; 2-azanyl-3-phenyl-propanoic acid
Openeye Name:4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; 2-amino-3-phenyl-propanoic acid
CAS Name:4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone; 2-amino-3-phenylpropanoic acid
IUPAC Name:4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 2-amino-3-phenylpropanoic acid
Traditional Name:4-amino-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidin-2-one; 2-amino-3-phenyl-propionic acid
Formula: C18H24N4O7
MolecularWeight: 408.40576
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O


Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O


InChI

InChI=1S/C9H13N3O5.C9H11NO2/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1-5,8H,6,10H2,(H,11,12)


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