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

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-25(2,3)18-12-10-17(11-13-18)23(31)33-15-19(29)20-21(26)28(24(32)27(4)22(20)30)14-16-8-6-5-7-9-16/h5-13H,14-15,26H2,1-4H3