2-azanyl-9-(cyclohexylmethoxy)-1-(3-oxidanylpropoxymethyl)purin-6-one

Systemtic Name: 2-azanyl-9-(cyclohexylmethoxy)-1-(3-oxidanylpropoxymethyl)purin-6-one Openeye Name: 2-amino-9-(cyclohexylmethoxy)-1-(3-hydroxypropoxymethyl)purin-6-one CAS Name: 2-amino-9-(cyclohexylmethoxy)-1-(3-hydroxypropoxymethyl)-6-purinone IUPAC Name: 2-amino-9-(cyclohexylmethoxy)-1-(3-hydroxypropoxymethyl)purin-6-one Traditional Name: 2-amino-9-(cyclohexylmethoxy)-1-(3-hydroxypropoxymethyl)purin-6-one Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CON2C=NC3=C2N=C(N(C3=O)COCCCO)N

Isomeric SMILES

C1CCC(CC1)CON2C=NC3=C2N=C(N(C3=O)COCCCO)N

InChI

InChI=1S/C16H25N5O4/c17-16-19-14-13(15(23)20(16)11-24-8-4-7-22)18-10-21(14)25-9-12-5-2-1-3-6-12/h10,12,22H,1-9,11H2,(H2,17,19)