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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl nonanoate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl nonanoate CAS Name: nonanoic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl nonanoate Traditional Name: pelargonic acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H26N4O4/c1-4-5-6-7-8-9-10-13(22)25-12-21-11-18-15-14(21)16(23)20(3)17(24)19(15)2/h11H,4-10,12H2,1-3H3