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

Systemtic Name: 2-azanyl-9-[[1-(cyclohexylmethoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(cyclohexylmethoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(cyclohexylmethoxy)-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(cyclohexylmethoxy)-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(cyclohexylmethoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COCC(CO)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CCC(CC1)COCC(CO)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H25N5O4/c17-16-19-14-13(15(23)20-16)18-9-21(14)10-25-12(6-22)8-24-7-11-4-2-1-3-5-11/h9,11-12,22H,1-8,10H2,(H3,17,19,20,23)