2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C17H19N7O4S2 MolecularWeight: 449.50726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

InChI

InChI=1S/C17H19N7O4S2/c18-16-21-14-13(15(26)23-16)20-17(22-14)29-9-12(25)19-10-3-5-11(6-4-10)30(27,28)24-7-1-2-8-24/h3-6H,1-2,7-9H2,(H,19,25)(H4,18,20,21,22,23,26)