2-azanyl-9-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-(phenylmethyl)-3H-purin-6-one Openeye Name: 2-amino-8-benzyl-9-(2-hydroxy-3-isopropoxy-propyl)-3H-purin-6-one CAS Name: 2-amino-9-(2-hydroxy-3-propan-2-yloxypropyl)-8-(phenylmethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-benzyl-9-(2-hydroxy-3-propan-2-yloxypropyl)-3H-purin-6-one Traditional Name: 2-amino-8-benzyl-9-(2-hydroxy-3-isopropoxy-propyl)-3H-purin-6-one Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C(=NC2=C1NC(=NC2=O)N)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)OCC(CN1C(=NC2=C1NC(=NC2=O)N)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H23N5O3/c1-11(2)26-10-13(24)9-23-14(8-12-6-4-3-5-7-12)20-15-16(23)21-18(19)22-17(15)25/h3-7,11,13,24H,8-10H2,1-2H3,(H3,19,21,22,25)