tert-butyl 2-[[6-(1-benzothiophen-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(1-benzothiophen-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(benzothiophen-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(1-benzothiophen-3-ylmethylamino)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(1-benzothiophen-3-ylmethylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(benzothiophen-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CSC3=CC=CC=C32

InChI

InChI=1S/C20H23N5O4S/c1-20(2,3)29-16(26)10-24(4)19-17(25(27)28)18(22-12-23-19)21-9-13-11-30-15-8-6-5-7-14(13)15/h5-8,11-12H,9-10H2,1-4H3,(H,21,22,23)