tert-butyl N-[2-(6-azanyl-8-thiophen-2-yl-purin-9-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(6-azanyl-8-thiophen-2-yl-purin-9-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-[6-amino-8-(2-thienyl)purin-9-yl]ethyl]carbamate CAS Name: N-[2-(6-amino-8-thiophen-2-yl-9-purinyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(6-amino-8-thiophen-2-ylpurin-9-yl)ethyl]carbamate Traditional Name: N-[2-[6-amino-8-(2-thienyl)purin-9-yl]ethyl]carbamic acid tert-butyl ester Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C2=C(C(=NC=N2)N)N=C1C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C2=C(C(=NC=N2)N)N=C1C3=CC=CS3

InChI

InChI=1S/C16H20N6O2S/c1-16(2,3)24-15(23)18-6-7-22-13(10-5-4-8-25-10)21-11-12(17)19-9-20-14(11)22/h4-5,8-9H,6-7H2,1-3H3,(H,18,23)(H2,17,19,20)