2-azanyl-9-(2-oxidanyl-4-phenylmethoxy-cyclohexyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(2-oxidanyl-4-phenylmethoxy-cyclohexyl)-3H-purin-6-one Openeye Name: 2-amino-9-(4-benzyloxy-2-hydroxy-cyclohexyl)-3H-purin-6-one CAS Name: 2-amino-9-(2-hydroxy-4-phenylmethoxycyclohexyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(2-hydroxy-4-phenylmethoxycyclohexyl)-3H-purin-6-one Traditional Name: 2-amino-9-(4-benzoxy-2-hydroxy-cyclohexyl)-3H-purin-6-one Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1OCC2=CC=CC=C2)O)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1CC(C(CC1OCC2=CC=CC=C2)O)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C18H21N5O3/c19-18-21-16-15(17(25)22-18)20-10-23(16)13-7-6-12(8-14(13)24)26-9-11-4-2-1-3-5-11/h1-5,10,12-14,24H,6-9H2,(H3,19,21,22,25)