tert-butyl 2-[(2-azanyl-4-sulfanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]ethanoate

Systemtic Name: tert-butyl 2-[(2-azanyl-4-sulfanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]ethanoate Openeye Name: tert-butyl 2-[(2-amino-4-thioxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]acetate CAS Name: 2-[(2-amino-4-sulfanylidene-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-amino-4-sulfanylidenepyrrolo[2,3-d]pyrimidin-5-yl)methylamino]acetate Traditional Name: 2-[(2-amino-4-thioxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]acetic acid tert-butyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCC1=C2C(=NC(=NC2=S)N)N=C1

Isomeric SMILES

CC(C)(C)OC(=O)CNCC1=C2C(=NC(=NC2=S)N)N=C1

InChI

InChI=1S/C13H17N5O2S/c1-13(2,3)20-8(19)6-15-4-7-5-16-10-9(7)11(21)18-12(14)17-10/h5,15H,4,6H2,1-3H3,(H2,14,18,21)