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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C18H21N7O4S2 MolecularWeight: 463.53384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

InChI

InChI=1S/C18H21N7O4S2/c19-17-22-15-14(16(27)24-17)21-18(23-15)30-10-13(26)20-11-4-6-12(7-5-11)31(28,29)25-8-2-1-3-9-25/h4-7H,1-3,8-10H2,(H,20,26)(H4,19,21,22,23,24,27)