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

Systemtic Name: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N

InChI

InChI=1S/C20H25N3O5/c1-5-13-6-8-14(9-7-13)19(26)28-11-15(24)16-17(21)23(10-12(2)3)20(27)22(4)18(16)25/h6-9,12H,5,10-11,21H2,1-4H3