1-butyl-3-(3-methoxyphenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid

Systemtic Name: 1-butyl-3-(3-methoxyphenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid Openeye Name: 1-butyl-3-(3-methoxyphenyl)-2,4-dioxo-pyrimidine-5-carboxylic acid CAS Name: 1-butyl-3-(3-methoxyphenyl)-2,4-dioxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-butyl-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxylic acid Traditional Name: 1-butyl-2,4-diketo-3-(3-methoxyphenyl)pyrimidine-5-carboxylic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-3-4-8-17-10-13(15(20)21)14(19)18(16(17)22)11-6-5-7-12(9-11)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)