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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl pentanoate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl pentanoate CAS Name: pentanoic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl pentanoate Traditional Name: valeric acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-4-5-6-9(18)21-8-17-7-14-11-10(17)12(19)16(3)13(20)15(11)2/h7H,4-6,8H2,1-3H3