[3-[(2-azanylpurin-9-yl)methyl]-4-(5-oxidanylidenehexanoyloxy)butyl] 2-azanyl-3-methyl-pentanoate

Systemtic Name: [3-[(2-azanylpurin-9-yl)methyl]-4-(5-oxidanylidenehexanoyloxy)butyl] 2-azanyl-3-methyl-pentanoate Openeye Name: [3-[(2-aminopurin-9-yl)methyl]-4-(5-oxohexanoyloxy)butyl] 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [3-[(2-amino-9-purinyl)methyl]-4-(1,5-dioxohexoxy)butyl] ester IUPAC Name: [3-[(2-aminopurin-9-yl)methyl]-4-(5-oxohexanoyloxy)butyl] 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [3-[(2-aminopurin-9-yl)methyl]-4-(5-ketohexanoyloxy)butyl] ester Formula: C22H34N6O5 MolecularWeight: 462.54256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCC(CN1C=NC2=CN=C(N=C21)N)COC(=O)CCCC(=O)C)N

Isomeric SMILES

CCC(C)C(C(=O)OCCC(CN1C=NC2=CN=C(N=C21)N)COC(=O)CCCC(=O)C)N

InChI

InChI=1S/C22H34N6O5/c1-4-14(2)19(23)21(31)32-9-8-16(12-33-18(30)7-5-6-15(3)29)11-28-13-26-17-10-25-22(24)27-20(17)28/h10,13-14,16,19H,4-9,11-12,23H2,1-3H3,(H2,24,25,27)