ethyl 7-(2-chlorophenyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-(2-chlorophenyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 7-(2-chlorophenyl)-5-isopropyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-(2-chlorophenyl)-4-oxo-5-propan-2-yl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-chlorophenyl)-4-oxo-5-propan-2-yl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 7-(2-chlorophenyl)-5-isopropyl-4-keto-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C3=CC=CC=C3Cl)NC=NC2=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C3=CC=CC=C3Cl)NC=NC2=O)C(C)C

InChI

InChI=1S/C18H18ClN3O3/c1-4-25-18(24)15-13(10(2)3)14-16(20-9-21-17(14)23)22(15)12-8-6-5-7-11(12)19/h5-10H,4H2,1-3H3,(H,20,21,23)