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

Systemtic Name: 6-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-(7-benzyl-3-methyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]hexan-2-yl ester IUPAC Name: 6-(7-benzyl-3-methyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(7-benzyl-2,6-diketo-3-methyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C21H26N4O4/c1-15(29-16(2)26)9-7-8-12-25-20(27)18-19(23(3)21(25)28)22-14-24(18)13-17-10-5-4-6-11-17/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3