2-azanyl-9-[[1-(4-chloranylphenoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[1-(4-chloranylphenoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-[(4-chlorophenoxy)methyl]-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(4-chlorophenoxy)-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(4-chlorophenoxy)-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-[(4-chlorophenoxy)methyl]-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N)Cl

InChI

InChI=1S/C15H16ClN5O4/c16-9-1-3-10(4-2-9)24-6-11(5-22)25-8-21-7-18-12-13(21)19-15(17)20-14(12)23/h1-4,7,11,22H,5-6,8H2,(H3,17,19,20,23)