6-[(4-nitrophenyl)methyl]-9-(phenylmethyl)-8-pyrrolidin-1-yl-3H-purine-6-thiol

Systemtic Name: 6-[(4-nitrophenyl)methyl]-9-(phenylmethyl)-8-pyrrolidin-1-yl-3H-purine-6-thiol Openeye Name: 9-benzyl-6-[(4-nitrophenyl)methyl]-8-pyrrolidin-1-yl-3H-purine-6-thiol CAS Name: 6-[(4-nitrophenyl)methyl]-9-(phenylmethyl)-8-(1-pyrrolidinyl)-3H-purine-6-thiol IUPAC Name: 9-benzyl-6-[(4-nitrophenyl)methyl]-8-pyrrolidin-1-yl-3H-purine-6-thiol Traditional Name: 9-benzyl-6-(4-nitrobenzyl)-8-pyrrolidino-3H-purine-6-thiol Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3(CC5=CC=C(C=C5)[N+](=O)[O-])S

Isomeric SMILES

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3(CC5=CC=C(C=C5)[N+](=O)[O-])S

InChI

InChI=1S/C23H24N6O2S/c30-29(31)19-10-8-17(9-11-19)14-23(32)20-21(24-16-25-23)28(15-18-6-2-1-3-7-18)22(26-20)27-12-4-5-13-27/h1-3,6-11,16,32H,4-5,12-15H2,(H,24,25)