ethyl 2-[(4-aminocarbonylquinolin-2-yl)sulfanylmethyl]-4-azanyl-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-aminocarbonylquinolin-2-yl)sulfanylmethyl]-4-azanyl-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-carbamoyl-2-quinolyl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(4-carbamoyl-2-quinolinyl)thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-carbamoylquinolin-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(4-carbamoyl-2-quinolyl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N)C

InChI

InChI=1S/C21H19N5O4S/c1-3-29-21(28)16-10(2)30-20-17(16)18(22)25-14(26-20)9-31-15-8-12(19(23)27)11-6-4-5-7-13(11)24-15/h4-8H,3,9H2,1-2H3,(H2,23,27)(H2,22,25,26)