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

Systemtic Name: ethyl 4-azanyl-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[[4-(ethylamino)-2-quinazolinyl]thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[[4-(ethylamino)quinazolin-2-yl]thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=C4C(=C(OC4=N3)C)C(=O)OCC)N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=C4C(=C(OC4=N3)C)C(=O)OCC)N

InChI

InChI=1S/C21H22N6O3S/c1-4-23-18-12-8-6-7-9-13(12)24-21(27-18)31-10-14-25-17(22)16-15(20(28)29-5-2)11(3)30-19(16)26-14/h6-9H,4-5,10H2,1-3H3,(H2,22,25,26)(H,23,24,27)