tert-butyl N-[2-[5-(purin-9-ylmethyl)-1H-indol-3-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[5-(purin-9-ylmethyl)-1H-indol-3-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[5-(purin-9-ylmethyl)-1H-indol-3-yl]ethyl]carbamate CAS Name: N-[2-[5-(9-purinylmethyl)-1H-indol-3-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[5-(purin-9-ylmethyl)-1H-indol-3-yl]ethyl]carbamate Traditional Name: N-[2-[5-(purin-9-ylmethyl)-1H-indol-3-yl]ethyl]carbamic acid tert-butyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)CN3C=NC4=CN=CN=C43

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)CN3C=NC4=CN=CN=C43

InChI

InChI=1S/C21H24N6O2/c1-21(2,3)29-20(28)23-7-6-15-9-24-17-5-4-14(8-16(15)17)11-27-13-26-18-10-22-12-25-19(18)27/h4-5,8-10,12-13,24H,6-7,11H2,1-3H3,(H,23,28)