ethyl 3-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-(5-cyano-2,4-dioxo-pyrimidin-1-yl)-1H-indole-2-carboxylate CAS Name: 3-(5-cyano-2,4-dioxo-1-pyrimidinyl)-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)-1H-indole-2-carboxylate Traditional Name: 3-(5-cyano-2,4-diketo-pyrimidin-1-yl)-1H-indole-2-carboxylic acid ethyl ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)N3C=C(C(=O)NC3=O)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)N3C=C(C(=O)NC3=O)C#N

InChI

InChI=1S/C16H12N4O4/c1-2-24-15(22)12-13(10-5-3-4-6-11(10)18-12)20-8-9(7-17)14(21)19-16(20)23/h3-6,8,18H,2H2,1H3,(H,19,21,23)