2,8-bis(azanyl)-9-[(1-heptoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[(1-heptoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[1-(heptoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[(1-heptoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[(1-heptoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-[[1-(heptoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C16H28N6O4 MolecularWeight: 368.43132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1N

Isomeric SMILES

CCCCCCCOCC(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1N

InChI

InChI=1S/C16H28N6O4/c1-2-3-4-5-6-7-25-9-11(8-23)26-10-22-13-12(19-16(22)18)14(24)21-15(17)20-13/h11,23H,2-10H2,1H3,(H2,18,19)(H3,17,20,21,24)