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

Systemtic Name: 8-morpholin-4-yl-6-[(4-nitrophenyl)methyl]-9-(phenylmethyl)-3H-purine-6-thiol Openeye Name: 9-benzyl-8-morpholino-6-[(4-nitrophenyl)methyl]-3H-purine-6-thiol CAS Name: 8-(4-morpholinyl)-6-[(4-nitrophenyl)methyl]-9-(phenylmethyl)-3H-purine-6-thiol IUPAC Name: 9-benzyl-8-morpholin-4-yl-6-[(4-nitrophenyl)methyl]-3H-purine-6-thiol Traditional Name: 9-benzyl-8-morpholino-6-(4-nitrobenzyl)-3H-purine-6-thiol Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3(CC5=CC=C(C=C5)[N+](=O)[O-])S

Isomeric SMILES

C1COCCN1C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3(CC5=CC=C(C=C5)[N+](=O)[O-])S

InChI

InChI=1S/C23H24N6O3S/c30-29(31)19-8-6-17(7-9-19)14-23(33)20-21(24-16-25-23)28(15-18-4-2-1-3-5-18)22(26-20)27-10-12-32-13-11-27/h1-9,16,33H,10-15H2,(H,24,25)