[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-(5-oxidanylidenehexanoyloxy)butyl] 2-azanyl-3-methyl-pentanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-(5-oxidanylidenehexanoyloxy)butyl] 2-azanyl-3-methyl-pentanoate Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-(5-oxohexanoyloxy)butyl] 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-(1,5-dioxohexoxy)butyl] ester IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-(5-oxohexanoyloxy)butyl] 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(5-ketohexanoyloxy)butyl] ester Formula: C22H34N6O6 MolecularWeight: 478.54196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)COC(=O)CCCC(=O)C)N

Isomeric SMILES

CCC(C)C(C(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)COC(=O)CCCC(=O)C)N

InChI

InChI=1S/C22H34N6O6/c1-4-13(2)17(23)21(32)33-9-8-15(11-34-16(30)7-5-6-14(3)29)10-28-12-25-18-19(28)26-22(24)27-20(18)31/h12-13,15,17H,4-11,23H2,1-3H3,(H3,24,26,27,31)