2-azanyl-9-[5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-1-(phenylmethyl)purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-1-(phenylmethyl)purin-6-one Openeye Name: 2-amino-1-benzyl-9-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-1-(phenylmethyl)-6-purinone IUPAC Name: 2-amino-1-benzyl-9-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-one Traditional Name: 2-amino-1-benzyl-9-(4-hydroxy-3-methoxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=C(N(C3=O)CC4=CC=CC=C4)N)CO)O

Isomeric SMILES

COC1C(C(OC1N2C=NC3=C2N=C(N(C3=O)CC4=CC=CC=C4)N)CO)O

InChI

InChI=1S/C18H21N5O5/c1-27-14-13(25)11(8-24)28-17(14)23-9-20-12-15(23)21-18(19)22(16(12)26)7-10-5-3-2-4-6-10/h2-6,9,11,13-14,17,24-25H,7-8H2,1H3,(H2,19,21)