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

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic 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] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OCC

InChI

InChI=1S/C21H27N3O7/c1-5-7-10-30-15-9-8-13(11-16(15)29-6-2)20(27)31-12-14(25)17-18(22)23(3)21(28)24(4)19(17)26/h8-9,11H,5-7,10,12,22H2,1-4H3