(4-azanylquinazolin-2-yl)methyl 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)CC(C)C

InChI

InChI=1S/C20H21N5O2S/c1-11(2)9-25-19-14(12(3)24-25)8-16(28-19)20(26)27-10-17-22-15-7-5-4-6-13(15)18(21)23-17/h4-8,11H,9-10H2,1-3H3,(H2,21,22,23)