6-[3-(5-cyanopentyl)-7-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[3-(5-cyanopentyl)-7-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[3-(5-cyanopentyl)-7-methyl-2,6-dioxo-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[3-(5-cyanopentyl)-7-methyl-2,6-dioxo-1-purinyl]hexan-2-yl ester IUPAC Name: 6-[3-(5-cyanopentyl)-7-methyl-2,6-dioxopurin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[3-(5-cyanopentyl)-2,6-diketo-7-methyl-purin-1-yl]-1-methyl-pentyl] ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCCC#N)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCCC#N)OC(=O)C

InChI

InChI=1S/C20H29N5O4/c1-15(29-16(2)26)10-6-9-13-25-19(27)17-18(22-14-23(17)3)24(20(25)28)12-8-5-4-7-11-21/h14-15H,4-10,12-13H2,1-3H3