5-[[3-(6-azanyl-7H-purin-8-yl)phenyl]carbamoyl]-2-chloranyl-benzenesulfonyl fluoride; 2-methoxyethanol

Systemtic Name: 5-[[3-(6-azanyl-7H-purin-8-yl)phenyl]carbamoyl]-2-chloranyl-benzenesulfonyl fluoride; 2-methoxyethanol Openeye Name: 5-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-2-chloro-benzenesulfonyl fluoride; 2-methoxyethanol CAS Name: 5-[[3-(6-amino-7H-purin-8-yl)anilino]-oxomethyl]-2-chlorobenzenesulfonyl fluoride; 2-methoxyethanol IUPAC Name: 5-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-2-chlorobenzenesulfonyl fluoride; 2-methoxyethanol Traditional Name: 5-[[3-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]-2-chloro-benzenesulfonyl fluoride; 2-methoxyethanol Formula: C21H20ClFN6O5S MolecularWeight: 522.937103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCO.C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

COCCO.C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C18H12ClFN6O3S.C3H8O2/c19-12-5-4-10(7-13(12)30(20,28)29)18(27)24-11-3-1-2-9(6-11)16-25-14-15(21)22-8-23-17(14)26-16;1-5-3-2-4/h1-8H,(H,24,27)(H3,21,22,23,25,26);4H,2-3H2,1H3