tert-butyl N-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]carbamate Openeye Name: tert-butyl N-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]carbamate CAS Name: N-[2-[[6-[(4-nitrophenyl)methylthio]-9-purinyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]carbamate Traditional Name: N-[2-[[6-[(4-nitrobenzyl)thio]purin-9-yl]methyl]phenyl]carbamic acid tert-butyl ester Formula: C24H24N6O4S MolecularWeight: 492.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O4S/c1-24(2,3)34-23(31)28-19-7-5-4-6-17(19)12-29-15-27-20-21(29)25-14-26-22(20)35-13-16-8-10-18(11-9-16)30(32)33/h4-11,14-15H,12-13H2,1-3H3,(H,28,31)