1-[4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-(7H-purin-6-yl)-1-piperazinyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(7H-purin-6-yl)piperazino]sulfonylphenyl]-2-pyrrolidone Formula: C19H21N7O3S MolecularWeight: 427.48014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C19H21N7O3S/c27-16-2-1-7-26(16)14-3-5-15(6-4-14)30(28,29)25-10-8-24(9-11-25)19-17-18(21-12-20-17)22-13-23-19/h3-6,12-13H,1-2,7-11H2,(H,20,21,22,23)