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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl propanoate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] propanoate CAS Name: propanoic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate Traditional Name: propionic acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCC(=O)OC(C)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C16H24N4O4/c1-5-12(21)24-11(2)8-6-7-9-20-15(22)13-14(17-10-18(13)3)19(4)16(20)23/h10-11H,5-9H2,1-4H3