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

Systemtic Name: ethyl 4-azanyl-2-[(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(3-ethyl-4-oxo-2-quinazolinyl)thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(3-ethyl-4-keto-quinazolin-2-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O4S MolecularWeight: 439.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=C4C(=C(OC4=N3)C)C(=O)OCC)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=C4C(=C(OC4=N3)C)C(=O)OCC)N

InChI

InChI=1S/C21H21N5O4S/c1-4-26-19(27)12-8-6-7-9-13(12)23-21(26)31-10-14-24-17(22)16-15(20(28)29-5-2)11(3)30-18(16)25-14/h6-9H,4-5,10H2,1-3H3,(H2,22,24,25)