2,8-bis(azanyl)-9-heptoxy-1-(3-oxidanylpropoxymethyl)purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-heptoxy-1-(3-oxidanylpropoxymethyl)purin-6-one Openeye Name: 2,8-diamino-9-heptoxy-1-(3-hydroxypropoxymethyl)purin-6-one CAS Name: 2,8-diamino-9-heptoxy-1-(3-hydroxypropoxymethyl)-6-purinone IUPAC Name: 2,8-diamino-9-heptoxy-1-(3-hydroxypropoxymethyl)purin-6-one Traditional Name: 2,8-diamino-9-heptoxy-1-(3-hydroxypropoxymethyl)purin-6-one Formula: C16H28N6O4 MolecularWeight: 368.43132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCON1C2=C(C(=O)N(C(=N2)N)COCCCO)N=C1N

Isomeric SMILES

CCCCCCCON1C2=C(C(=O)N(C(=N2)N)COCCCO)N=C1N

InChI

InChI=1S/C16H28N6O4/c1-2-3-4-5-6-10-26-22-13-12(19-16(22)18)14(24)21(15(17)20-13)11-25-9-7-8-23/h23H,2-11H2,1H3,(H2,17,20)(H2,18,19)