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

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic 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] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N4O6/c1-10(20-15(24)11-7-5-4-6-8-11)17(26)28-9-12(23)13-14(19)21(2)18(27)22(3)16(13)25/h4-8,10H,9,19H2,1-3H3,(H,20,24)