6-[3,8-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[3,8-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-(7-benzyl-3,8-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[3,8-dimethyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]hexan-2-yl ester IUPAC Name: 6-(7-benzyl-3,8-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(7-benzyl-2,6-diketo-3,8-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CCCCC(C)OC(=O)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CCCCC(C)OC(=O)C

InChI

InChI=1S/C22H28N4O4/c1-15(30-17(3)27)10-8-9-13-25-21(28)19-20(24(4)22(25)29)23-16(2)26(19)14-18-11-6-5-7-12-18/h5-7,11-12,15H,8-10,13-14H2,1-4H3