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

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid Openeye Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-pyrimidine-5-carboxylic acid CAS Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxopyrimidine-5-carboxylic acid Traditional Name: 1-butyl-3-(3-cyanophenyl)-2,4-diketo-pyrimidine-5-carboxylic acid Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4/c1-2-3-7-18-10-13(15(21)22)14(20)19(16(18)23)12-6-4-5-11(8-12)9-17/h4-6,8,10H,2-3,7H2,1H3,(H,21,22)