ethyl 4-azanyl-6-methyl-2-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methoxy]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-6-methyl-2-[[(2S)-1-(2-thenoyl)prolyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C3CCCN3C(=O)C4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4)C

InChI

InChI=1S/C21H22N4O6S/c1-3-29-21(28)15-11(2)31-18-16(15)17(22)23-14(24-18)10-30-20(27)12-6-4-8-25(12)19(26)13-7-5-9-32-13/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H2,22,23,24)/t12-/m0/s1