6-[8-(2-chloroethylamino)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[8-(2-chloroethylamino)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[8-(2-chloroethylamino)-3-methyl-2,6-dioxo-7H-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[8-(2-chloroethylamino)-3-methyl-2,6-dioxo-7H-purin-1-yl]hexan-2-yl ester IUPAC Name: 6-[8-(2-chloroethylamino)-3-methyl-2,6-dioxo-7H-purin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[8-(2-chloroethylamino)-2,6-diketo-3-methyl-7H-purin-1-yl]-1-methyl-pentyl] ester Formula: C16H24ClN5O4 MolecularWeight: 385.84586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCCl)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCCl)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C16H24ClN5O4/c1-10(26-11(2)23)6-4-5-9-22-14(24)12-13(21(3)16(22)25)20-15(19-12)18-8-7-17/h10H,4-9H2,1-3H3,(H2,18,19,20)