[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetic acid phthalimidomethyl ester Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C15H12N4O5S/c16-10-5-11(20)18-15(17-10)25-6-12(21)24-7-19-13(22)8-3-1-2-4-9(8)14(19)23/h1-5H,6-7H2,(H3,16,17,18,20)