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

Systemtic Name: [2-[4-azanyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-[6-amino-1-benzyl-3-(2-methoxy-2-oxo-ethyl)-2,4-dioxo-pyrimidin-5-yl]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[6-amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-[6-amino-1-benzyl-2,4-diketo-3-(2-keto-2-methoxy-ethyl)pyrimidin-5-yl]-2-keto-ethyl] ester Formula: C25H25N3O7 MolecularWeight: 479.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)CC(=O)OC)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)CC(=O)OC)CC3=CC=CC=C3)N

InChI

InChI=1S/C25H25N3O7/c1-15-8-7-11-18(16(15)2)24(32)35-14-19(29)21-22(26)27(12-17-9-5-4-6-10-17)25(33)28(23(21)31)13-20(30)34-3/h4-11H,12-14,26H2,1-3H3