4-(4-azanyl-6-oxidanylidene-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-(4-azanyl-6-oxidanylidene-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(4-amino-6-keto-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(2-pyrimidyl)benzenesulfonamide Formula: C16H13N7O3S MolecularWeight: 383.38452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=CN=C2N)N(C1=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1C2=C(N=CN=C2N)N(C1=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C16H13N7O3S/c17-14-12-8-13(24)23(15(12)21-9-20-14)10-2-4-11(5-3-10)27(25,26)22-16-18-6-1-7-19-16/h1-7,9H,8H2,(H2,17,20,21)(H,18,19,22)