[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N

Isomeric SMILES

CCCCC(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N

InChI

InChI=1S/C13H19N3O5/c1-4-5-6-9(18)21-7-8(17)10-11(14)15(2)13(20)16(3)12(10)19/h4-7,14H2,1-3H3