[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N

InChI

InChI=1S/C23H22N4O6/c1-14(28)25-17-10-6-9-16(11-17)22(31)33-13-18(29)19-20(24)27(23(32)26(2)21(19)30)12-15-7-4-3-5-8-15/h3-11H,12-13,24H2,1-2H3,(H,25,28)