ethyl 4-azanyl-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonyloxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonyloxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[2-(2-amino-2-oxo-ethyl)sulfanylbenzoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[[2-[(2-amino-2-oxoethyl)thio]phenyl]-oxomethoxy]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(2-amino-2-keto-ethyl)thio]benzoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C3=CC=CC=C3SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C3=CC=CC=C3SCC(=O)N)C

InChI

InChI=1S/C20H20N4O6S/c1-3-28-20(27)15-10(2)30-18-16(15)17(22)23-14(24-18)8-29-19(26)11-6-4-5-7-12(11)31-9-13(21)25/h4-7H,3,8-9H2,1-2H3,(H2,21,25)(H2,22,23,24)