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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-[4-(3-methylpiperidino)sulfonylphenyl]acetamide Formula: C19H23N7O4S2 MolecularWeight: 477.56042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

InChI

InChI=1S/C19H23N7O4S2/c1-11-3-2-8-26(9-11)32(29,30)13-6-4-12(5-7-13)21-14(27)10-31-19-22-15-16(24-19)23-18(20)25-17(15)28/h4-7,11H,2-3,8-10H2,1H3,(H,21,27)(H4,20,22,23,24,25,28)