tert-butyl N-[2-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]ethyl]carbamate CAS Name: N-[2-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]ethyl]carbamate Traditional Name: N-[2-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]ethyl]carbamic acid tert-butyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

InChI

InChI=1S/C16H21N5O3S/c1-16(2,3)24-15(23)19-4-5-21-9-12(13(22)20-14(21)25)6-11-7-17-10-18-8-11/h7-10H,4-6H2,1-3H3,(H,19,23)(H,20,22,25)