methyl 4-chloranyl-2-phenyl-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-chloranyl-2-phenyl-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 7-(benzenesulfonyl)-4-chloro-2-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-(benzenesulfonyl)-4-chloro-2-phenyl-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 7-besyl-4-chloro-2-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H14ClN3O4S MolecularWeight: 427.86086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)N=C(N=C2Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)N=C(N=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H14ClN3O4S/c1-28-20(25)16-12-15-17(21)22-18(13-8-4-2-5-9-13)23-19(15)24(16)29(26,27)14-10-6-3-7-11-14/h2-12H,1H3