(4-azanylquinazolin-2-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H17N5O3S/c1-11-16(19(29-2)25-18(22-11)14-8-5-9-27-14)20(26)28-10-15-23-13-7-4-3-6-12(13)17(21)24-15/h3-9H,10H2,1-2H3,(H2,21,23,24)