2-[[6-azanyl-5-[[6-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-(3-methoxyphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[6-azanyl-5-[[6-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-(3-methoxyphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-amino-5-[[6-amino-2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-(3-methoxyphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[6-amino-5-[[6-amino-2-[(2-amino-2-oxoethyl)thio]-4-oxo-1H-pyrimidin-5-yl]-(3-methoxyphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[6-amino-5-[[6-amino-2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-(3-methoxyphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-amino-5-[[6-amino-2-[(2-amino-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-5-yl]-(3-methoxyphenyl)methyl]-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C20H22N8O5S2 MolecularWeight: 518.56928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=C(NC(=NC2=O)SCC(=O)N)N)C3=C(NC(=NC3=O)SCC(=O)N)N

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=C(NC(=NC2=O)SCC(=O)N)N)C3=C(NC(=NC3=O)SCC(=O)N)N

InChI

InChI=1S/C20H22N8O5S2/c1-33-9-4-2-3-8(5-9)12(13-15(23)25-19(27-17(13)31)34-6-10(21)29)14-16(24)26-20(28-18(14)32)35-7-11(22)30/h2-5,12H,6-7H2,1H3,(H2,21,29)(H2,22,30)(H3,23,25,27,31)(H3,24,26,28,32)