4-(4-azanyl-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide

Systemtic Name: 4-(4-azanyl-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide Openeye Name: 4-(4-amino-5-phenyl-2-thioxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide CAS Name: 4-(4-amino-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide IUPAC Name: 4-(4-amino-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide Traditional Name: 4-(4-amino-5-phenyl-2-thioxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide Formula: C18H15N5O2S2 MolecularWeight: 397.474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=NC(=S)NC(=C23)N)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=NC(=S)NC(=C23)N)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H15N5O2S2/c19-16-15-14(11-4-2-1-3-5-11)10-23(17(15)22-18(26)21-16)12-6-8-13(9-7-12)27(20,24)25/h1-10H,(H2,20,24,25)(H3,19,21,22,26)