(phenylmethyl) 2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-[(5-bromo-2-furoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C18H15BrN4O5S MolecularWeight: 479.3045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C18H15BrN4O5S/c19-12-7-6-11(28-12)16(25)21-14-15(20)22-18(23-17(14)26)29-9-13(24)27-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,25)(H3,20,22,23,26)